Lipids and Lipid Derivatives
Filtered Search Results
DL-6-Methyl-5-hepten-2-ol, 99%
CAS: 6-2-4630 Molecular Formula: C8H16O Molecular Weight (g/mol): 128.21 MDL Number: MFCD00004561 InChI Key: OHEFFKYYKJVVOX-UHFFFAOYNA-N SMILES: CC(O)CCC=C(C)C
| CAS | 6-2-4630 |
|---|---|
| Molecular Weight (g/mol) | 128.21 |
| MDL Number | MFCD00004561 |
| SMILES | CC(O)CCC=C(C)C |
| InChI Key | OHEFFKYYKJVVOX-UHFFFAOYNA-N |
| Molecular Formula | C8H16O |
(+)-Nootkatone, crystalline, 98+%
CAS: 4674-50-4 Molecular Formula: C15H22O Molecular Weight (g/mol): 218.34 MDL Number: MFCD00036591 InChI Key: WTOYNNBCKUYIKC-SLEUVZQESA-N Synonym: unii-zms1vjk5hy,zms1vjk5hy,nootkatone,-,+-nootkatone, crystalline,2 3h-naphthalenone, 4,4a,5,6,7,8-hexahydro-4,4a-dimethyl-6-1-methylethenyl-, 4s,4ar,6s,unii-3k3okv2a5a component,4s,6s,4ar-4,4a-dimethyl-6-1-methylvinyl-3,4,5,6,7,8,4a-heptahydronaphthale n-2-one PubChem CID: 7567181 IUPAC Name: (4S,4aR,6S)-4,4a-dimethyl-6-prop-1-en-2-yl-3,4,5,6,7,8-hexahydronaphthalen-2-one SMILES: CC1CC(=O)C=C2C1(CC(CC2)C(=C)C)C
| PubChem CID | 7567181 |
|---|---|
| CAS | 4674-50-4 |
| Molecular Weight (g/mol) | 218.34 |
| MDL Number | MFCD00036591 |
| SMILES | CC1CC(=O)C=C2C1(CC(CC2)C(=C)C)C |
| Synonym | unii-zms1vjk5hy,zms1vjk5hy,nootkatone,-,+-nootkatone, crystalline,2 3h-naphthalenone, 4,4a,5,6,7,8-hexahydro-4,4a-dimethyl-6-1-methylethenyl-, 4s,4ar,6s,unii-3k3okv2a5a component,4s,6s,4ar-4,4a-dimethyl-6-1-methylvinyl-3,4,5,6,7,8,4a-heptahydronaphthale n-2-one |
| IUPAC Name | (4S,4aR,6S)-4,4a-dimethyl-6-prop-1-en-2-yl-3,4,5,6,7,8-hexahydronaphthalen-2-one |
| InChI Key | WTOYNNBCKUYIKC-SLEUVZQESA-N |
| Molecular Formula | C15H22O |
Guaiazulene, 99%
CAS: 489-84-9 Molecular Formula: C15H18 Molecular Weight (g/mol): 198.31 InChI Key: FWKQNCXZGNBPFD-UHFFFAOYSA-N Synonym: guaiazulene,1,4-dimethyl-7-isopropylazulene,azulon,vetivazulen,azunol,7-isopropyl-1,4-dimethylazulene,eucazulen,guajazulene,kessazulen,purazulen PubChem CID: 3515 ChEBI: CHEBI:5550 IUPAC Name: 1,4-dimethyl-7-propan-2-ylazulene SMILES: CC1=C2C=CC(=C2C=C(C=C1)C(C)C)C
| PubChem CID | 3515 |
|---|---|
| CAS | 489-84-9 |
| Molecular Weight (g/mol) | 198.31 |
| ChEBI | CHEBI:5550 |
| SMILES | CC1=C2C=CC(=C2C=C(C=C1)C(C)C)C |
| Synonym | guaiazulene,1,4-dimethyl-7-isopropylazulene,azulon,vetivazulen,azunol,7-isopropyl-1,4-dimethylazulene,eucazulen,guajazulene,kessazulen,purazulen |
| IUPAC Name | 1,4-dimethyl-7-propan-2-ylazulene |
| InChI Key | FWKQNCXZGNBPFD-UHFFFAOYSA-N |
| Molecular Formula | C15H18 |
Guaiazulene, 98+%
CAS: 489-84-9 Molecular Formula: C15H18 Molecular Weight (g/mol): 198.309 MDL Number: MFCD00003811 InChI Key: FWKQNCXZGNBPFD-UHFFFAOYSA-N Synonym: guaiazulene,1,4-dimethyl-7-isopropylazulene,azulon,vetivazulen,azunol,7-isopropyl-1,4-dimethylazulene,eucazulen,guajazulene,kessazulen,purazulen PubChem CID: 3515 ChEBI: CHEBI:5550 IUPAC Name: 1,4-dimethyl-7-propan-2-ylazulene SMILES: CC1=C2C=CC(=C2C=C(C=C1)C(C)C)C
| PubChem CID | 3515 |
|---|---|
| CAS | 489-84-9 |
| Molecular Weight (g/mol) | 198.309 |
| ChEBI | CHEBI:5550 |
| MDL Number | MFCD00003811 |
| SMILES | CC1=C2C=CC(=C2C=C(C=C1)C(C)C)C |
| Synonym | guaiazulene,1,4-dimethyl-7-isopropylazulene,azulon,vetivazulen,azunol,7-isopropyl-1,4-dimethylazulene,eucazulen,guajazulene,kessazulen,purazulen |
| IUPAC Name | 1,4-dimethyl-7-propan-2-ylazulene |
| InChI Key | FWKQNCXZGNBPFD-UHFFFAOYSA-N |
| Molecular Formula | C15H18 |
Dexamethasone, 98%
CAS: 50-02-2 Molecular Formula: C22H29FO5 Molecular Weight (g/mol): 392.47 MDL Number: MFCD00064136 InChI Key: UREBDLICKHMUKA-CXSFZGCWSA-N Synonym: dexamethasone,decadron,dexamethazone,maxidex,decaspray,desametasone,hexadecadrol,dexacort,dexasone,hexadrol PubChem CID: 5743 ChEBI: CHEBI:41879 IUPAC Name: (1R,2R,3aS,3bS,9aS,9bR,10S,11aS)-9b-fluoro-1,10-dihydroxy-1-(2-hydroxyacetyl)-2,9a,11a-trimethyl-1H,2H,3H,3aH,3bH,4H,5H,7H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-one SMILES: C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CO
| PubChem CID | 5743 |
|---|---|
| CAS | 50-02-2 |
| Molecular Weight (g/mol) | 392.47 |
| ChEBI | CHEBI:41879 |
| MDL Number | MFCD00064136 |
| SMILES | C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CO |
| Synonym | dexamethasone,decadron,dexamethazone,maxidex,decaspray,desametasone,hexadecadrol,dexacort,dexasone,hexadrol |
| IUPAC Name | (1R,2R,3aS,3bS,9aS,9bR,10S,11aS)-9b-fluoro-1,10-dihydroxy-1-(2-hydroxyacetyl)-2,9a,11a-trimethyl-1H,2H,3H,3aH,3bH,4H,5H,7H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-one |
| InChI Key | UREBDLICKHMUKA-CXSFZGCWSA-N |
| Molecular Formula | C22H29FO5 |
Sodium taurocholate hydrate, 96%
CAS: 345909-26-4 Molecular Formula: C26H44NNaO7S Molecular Weight (g/mol): 537.688 MDL Number: MFCD00150819 InChI Key: JAJWGJBVLPIOOH-VXFFEJGCSA-M Synonym: sodium taurocholate,taurocholic acid sodium salt,taurocholate sodium,taurocholate sodium salt,unii-m6n3th81no,monosodium n-choloyltaurinate,m6n3th81no,monosodium taurocholate,sodium n-choloyltaurinate,monosodium taurocholic acid PubChem CID: 131632374 IUPAC Name: sodium;2-[[(4R)-4-[(3R,5S,7R,8R,9R,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]ethanesulfonate SMILES: CC(CCC(=O)NCCS(=O)(=O)[O-])C1CCC2C1(C(CC3C2C(CC4C3(CCC(C4)O)C)O)O)C.[Na+]
| PubChem CID | 131632374 |
|---|---|
| CAS | 345909-26-4 |
| Molecular Weight (g/mol) | 537.688 |
| MDL Number | MFCD00150819 |
| SMILES | CC(CCC(=O)NCCS(=O)(=O)[O-])C1CCC2C1(C(CC3C2C(CC4C3(CCC(C4)O)C)O)O)C.[Na+] |
| Synonym | sodium taurocholate,taurocholic acid sodium salt,taurocholate sodium,taurocholate sodium salt,unii-m6n3th81no,monosodium n-choloyltaurinate,m6n3th81no,monosodium taurocholate,sodium n-choloyltaurinate,monosodium taurocholic acid |
| IUPAC Name | sodium;2-[[(4R)-4-[(3R,5S,7R,8R,9R,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]ethanesulfonate |
| InChI Key | JAJWGJBVLPIOOH-VXFFEJGCSA-M |
| Molecular Formula | C26H44NNaO7S |
4-Cholesten-3-one, 98+%
CAS: 601-57-0 Molecular Formula: C27H44O Molecular Weight (g/mol): 384.648 MDL Number: MFCD00003663 InChI Key: NYOXRYYXRWJDKP-GYKMGIIDSA-N Synonym: 4-cholesten-3-one,cholest-4-en-3-one,cholestenone,3-oxocholest-4-ene,delta sup 4-cholestenone,+-4-cholesten-3-one,unii-7t94nhd99c,3-oxo-4-cholestene,3-keto-4-cholestene,cholestenone delta 4 PubChem CID: 91477 ChEBI: CHEBI:16175 IUPAC Name: (8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one SMILES: CC(C)CCCC(C)C1CCC2C1(CCC3C2CCC4=CC(=O)CCC34C)C
| PubChem CID | 91477 |
|---|---|
| CAS | 601-57-0 |
| Molecular Weight (g/mol) | 384.648 |
| ChEBI | CHEBI:16175 |
| MDL Number | MFCD00003663 |
| SMILES | CC(C)CCCC(C)C1CCC2C1(CCC3C2CCC4=CC(=O)CCC34C)C |
| Synonym | 4-cholesten-3-one,cholest-4-en-3-one,cholestenone,3-oxocholest-4-ene,delta sup 4-cholestenone,+-4-cholesten-3-one,unii-7t94nhd99c,3-oxo-4-cholestene,3-keto-4-cholestene,cholestenone delta 4 |
| IUPAC Name | (8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one |
| InChI Key | NYOXRYYXRWJDKP-GYKMGIIDSA-N |
| Molecular Formula | C27H44O |
Chenodeoxycholic Acid, British Pharmacopoeia (BP) Reference Standard, MilliporeSigma™ Supelco™
This product is provided as delivered and specified by the issuing Pharmacopoeia. All information provided in support of this product, including SDS and any product information leaflets, has been developed and issued under the Authority of the issuing Pharmacopoeia.
Thermo Scientific Chemicals Estradiene dione
CAS: 5571-36-8 Molecular Formula: C20H26O3 Molecular Weight (g/mol): 314.43 InChI Key: XUOQKQRMICQUQC-UHFFFAOYNA-N IUPAC Name: 11a-methyl-1,2,3,3a,3b,4,5,6,8,9,11,11a-dodecahydrospiro[cyclopenta[a]phenanthrene-7,2'-[1,3]dioxolan]-1-one SMILES: CC12CC=C3C(CCC4=C3CCC3(C4)OCCO3)C1CCC2=O
| CAS | 5571-36-8 |
|---|---|
| Molecular Weight (g/mol) | 314.43 |
| SMILES | CC12CC=C3C(CCC4=C3CCC3(C4)OCCO3)C1CCC2=O |
| IUPAC Name | 11a-methyl-1,2,3,3a,3b,4,5,6,8,9,11,11a-dodecahydrospiro[cyclopenta[a]phenanthrene-7,2'-[1,3]dioxolan]-1-one |
| InChI Key | XUOQKQRMICQUQC-UHFFFAOYNA-N |
| Molecular Formula | C20H26O3 |
Farnesylacetone, mixture of isomers, 97%
CAS: 762-29-8 Molecular Formula: C18H30O Molecular Weight (g/mol): 262.437 MDL Number: MFCD00036517 InChI Key: LTUMRKDLVGQMJU-IUBLYSDUSA-N Synonym: farnesyl acetone,5e,9e-6,10,14-trimethylpentadeca-5,9,13-trien-2-one,farnesylacetone,e,e-farnesylacetone,unii-3s0g4n267h,e,e-6,10,14-trimethylpentadeca-5,9,13-trien-2-one,trans,trans-farnesylacetone,5,9,13-pentadecatrien-2-one, 6,10,14-trimethyl-, e,e,2,6,10-trimethyl-2,6,10-pentadecatrien-14-one,5,9,13-pentadecatriene-2-one, 6,10,14-trimethyl PubChem CID: 1711945 ChEBI: CHEBI:67252 IUPAC Name: (5E,9E)-6,10,14-trimethylpentadeca-5,9,13-trien-2-one SMILES: CC(=CCCC(=CCCC(=CCCC(=O)C)C)C)C
| PubChem CID | 1711945 |
|---|---|
| CAS | 762-29-8 |
| Molecular Weight (g/mol) | 262.437 |
| ChEBI | CHEBI:67252 |
| MDL Number | MFCD00036517 |
| SMILES | CC(=CCCC(=CCCC(=CCCC(=O)C)C)C)C |
| Synonym | farnesyl acetone,5e,9e-6,10,14-trimethylpentadeca-5,9,13-trien-2-one,farnesylacetone,e,e-farnesylacetone,unii-3s0g4n267h,e,e-6,10,14-trimethylpentadeca-5,9,13-trien-2-one,trans,trans-farnesylacetone,5,9,13-pentadecatrien-2-one, 6,10,14-trimethyl-, e,e,2,6,10-trimethyl-2,6,10-pentadecatrien-14-one,5,9,13-pentadecatriene-2-one, 6,10,14-trimethyl |
| IUPAC Name | (5E,9E)-6,10,14-trimethylpentadeca-5,9,13-trien-2-one |
| InChI Key | LTUMRKDLVGQMJU-IUBLYSDUSA-N |
| Molecular Formula | C18H30O |
2,6,10,14-Tetramethylpentadecane, 95%
CAS: 1921-70-6 Molecular Formula: C19H40 Molecular Weight (g/mol): 268.51 InChI Key: XOJVVFBFDXDTEG-UHFFFAOYSA-N Synonym: pristane,norphytane,bute hydrocarbon,norphytan,pristan,pentadecane, 2,6,10,14-tetramethyl,meso-pristane,2,6,10,10-tetramethylpentadecane,meso-form,norphytane, robuoy PubChem CID: 15979 ChEBI: CHEBI:53181 IUPAC Name: 2,6,10,14-tetramethylpentadecane SMILES: CC(C)CCCC(C)CCCC(C)CCCC(C)C
| PubChem CID | 15979 |
|---|---|
| CAS | 1921-70-6 |
| Molecular Weight (g/mol) | 268.51 |
| ChEBI | CHEBI:53181 |
| SMILES | CC(C)CCCC(C)CCCC(C)CCCC(C)C |
| Synonym | pristane,norphytane,bute hydrocarbon,norphytan,pristan,pentadecane, 2,6,10,14-tetramethyl,meso-pristane,2,6,10,10-tetramethylpentadecane,meso-form,norphytane, robuoy |
| IUPAC Name | 2,6,10,14-tetramethylpentadecane |
| InChI Key | XOJVVFBFDXDTEG-UHFFFAOYSA-N |
| Molecular Formula | C19H40 |
Isophytol, 95%
CAS: 505-32-8 Molecular Formula: C20H40O Molecular Weight (g/mol): 296.539 MDL Number: MFCD00048380 InChI Key: KEVYVLWNCKMXJX-UHFFFAOYSA-N Synonym: isophytol,3,7,11,15-tetramethyl-1-hexadecen-3-ol,1-hexadecen-3-ol, 3,7,11,15-tetramethyl,2,6,10,14-tetramethylhexadec-15-en-14-ol,2,6,10-trimethyl-14-vinylpentadecan-14-ol,1-hexadecene-3-ol, 3,7,11,15-tetramethyl,1-phyten-3-ol,iso-phytol,dsstox_cid_5474 PubChem CID: 10453 IUPAC Name: 3,7,11,15-tetramethylhexadec-1-en-3-ol SMILES: CC(C)CCCC(C)CCCC(C)CCCC(C)(C=C)O
| PubChem CID | 10453 |
|---|---|
| CAS | 505-32-8 |
| Molecular Weight (g/mol) | 296.539 |
| MDL Number | MFCD00048380 |
| SMILES | CC(C)CCCC(C)CCCC(C)CCCC(C)(C=C)O |
| Synonym | isophytol,3,7,11,15-tetramethyl-1-hexadecen-3-ol,1-hexadecen-3-ol, 3,7,11,15-tetramethyl,2,6,10,14-tetramethylhexadec-15-en-14-ol,2,6,10-trimethyl-14-vinylpentadecan-14-ol,1-hexadecene-3-ol, 3,7,11,15-tetramethyl,1-phyten-3-ol,iso-phytol,dsstox_cid_5474 |
| IUPAC Name | 3,7,11,15-tetramethylhexadec-1-en-3-ol |
| InChI Key | KEVYVLWNCKMXJX-UHFFFAOYSA-N |
| Molecular Formula | C20H40O |
Paclitaxel, 99.5+%
CAS: 33069-62-4 Molecular Formula: C47H51NO14 Molecular Weight (g/mol): 853.92 MDL Number: MFCD00869953 InChI Key: RCINICONZNJXQF-VAZQATRQSA-N Synonym: paclitaxel,taxol,taxol a,abraxane,paxene,paxceed,plaxicel,yewtaxan,onxol,ebetaxel PubChem CID: 133640187 IUPAC Name: (1S,2S,4S,7R,9S,10S,12R,15S)-4,12-bis(acetyloxy)-1,9-dihydroxy-15-{[(2R,3S)-2-hydroxy-3-phenyl-3-(phenylformamido)propanoyl]oxy}-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.0³,¹⁰.0⁴,⁷]heptadec-13-en-2-yl benzoate SMILES: CC(=O)O[C@@H]1C2=C(C)[C@H](C[C@@](O)([C@@H](OC(=O)C3=CC=CC=C3)C3[C@@]4(CO[C@@H]4C[C@H](O)[C@@]3(C)C1=O)OC(C)=O)C2(C)C)OC(=O)[C@H](O)[C@@H](NC(=O)C1=CC=CC=C1)C1=CC=CC=C1
| PubChem CID | 133640187 |
|---|---|
| CAS | 33069-62-4 |
| Molecular Weight (g/mol) | 853.92 |
| MDL Number | MFCD00869953 |
| SMILES | CC(=O)O[C@@H]1C2=C(C)[C@H](C[C@@](O)([C@@H](OC(=O)C3=CC=CC=C3)C3[C@@]4(CO[C@@H]4C[C@H](O)[C@@]3(C)C1=O)OC(C)=O)C2(C)C)OC(=O)[C@H](O)[C@@H](NC(=O)C1=CC=CC=C1)C1=CC=CC=C1 |
| Synonym | paclitaxel,taxol,taxol a,abraxane,paxene,paxceed,plaxicel,yewtaxan,onxol,ebetaxel |
| IUPAC Name | (1S,2S,4S,7R,9S,10S,12R,15S)-4,12-bis(acetyloxy)-1,9-dihydroxy-15-{[(2R,3S)-2-hydroxy-3-phenyl-3-(phenylformamido)propanoyl]oxy}-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.0³,¹⁰.0⁴,⁷]heptadec-13-en-2-yl benzoate |
| InChI Key | RCINICONZNJXQF-VAZQATRQSA-N |
| Molecular Formula | C47H51NO14 |
Geranyl linalool, ca. 95%, Tech., mixture of isomers
CAS: 1113-21-9 Molecular Formula: C20H34O Molecular Weight (g/mol): 290.49 MDL Number: MFCD00059363 InChI Key: IQDXAJNQKSIPGB-HQSZAHFGNA-N Synonym: geranyl linalool,geranyllinalool,3,7,11,15-tetramethyl-1,6,10,14-hexadecatetraen-3-ol,e,e-geranyllinalool,6e,10e-geranyllinalool,3,7,11,15-tetramethylhexadeca-1,6,10,14-tetraen-3-ol,6e,10e-3,7,11,15-tetramethylhexadeca-1,6,10,14-tetraen-3-ol,e,e-3,7,11,15-tetramethylhexadeca-1,6,10,14-tetraen-3-ol,1,6,10,14-hexadecatetraen-3-ol, 3,7,11,15-tetramethyl-, 6e,10e,1,6,10,14-hexadecatetraen-3-ol, 3,7,11,15-tetramethyl PubChem CID: 5365872 ChEBI: CHEBI:74299 IUPAC Name: (6E,10E)-3,7,11,15-tetramethylhexadeca-1,6,10,14-tetraen-3-ol SMILES: CC(C)=CCC\C(C)=C\CC\C(C)=C\CCC(C)(O)C=C
| PubChem CID | 5365872 |
|---|---|
| CAS | 1113-21-9 |
| Molecular Weight (g/mol) | 290.49 |
| ChEBI | CHEBI:74299 |
| MDL Number | MFCD00059363 |
| SMILES | CC(C)=CCC\C(C)=C\CC\C(C)=C\CCC(C)(O)C=C |
| Synonym | geranyl linalool,geranyllinalool,3,7,11,15-tetramethyl-1,6,10,14-hexadecatetraen-3-ol,e,e-geranyllinalool,6e,10e-geranyllinalool,3,7,11,15-tetramethylhexadeca-1,6,10,14-tetraen-3-ol,6e,10e-3,7,11,15-tetramethylhexadeca-1,6,10,14-tetraen-3-ol,e,e-3,7,11,15-tetramethylhexadeca-1,6,10,14-tetraen-3-ol,1,6,10,14-hexadecatetraen-3-ol, 3,7,11,15-tetramethyl-, 6e,10e,1,6,10,14-hexadecatetraen-3-ol, 3,7,11,15-tetramethyl |
| IUPAC Name | (6E,10E)-3,7,11,15-tetramethylhexadeca-1,6,10,14-tetraen-3-ol |
| InChI Key | IQDXAJNQKSIPGB-HQSZAHFGNA-N |
| Molecular Formula | C20H34O |
Thermo Scientific Chemicals Paclitaxel, 99+%
CAS: 33069-62-4 Molecular Formula: C47H51NO14 Molecular Weight (g/mol): 853.92 MDL Number: MFCD00869953 InChI Key: RCINICONZNJXQF-VAZQATRQSA-N Synonym: paclitaxel,taxol,taxol a,abraxane,paxene,paxceed,plaxicel,yewtaxan,onxol,ebetaxel PubChem CID: 133640187 IUPAC Name: (1S,2S,4S,7R,9S,10S,12R,15S)-4,12-bis(acetyloxy)-1,9-dihydroxy-15-{[(2R,3S)-2-hydroxy-3-phenyl-3-(phenylformamido)propanoyl]oxy}-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.0³,¹⁰.0⁴,⁷]heptadec-13-en-2-yl benzoate SMILES: CC(=O)O[C@@H]1C2=C(C)[C@H](C[C@@](O)([C@@H](OC(=O)C3=CC=CC=C3)C3[C@@]4(CO[C@@H]4C[C@H](O)[C@@]3(C)C1=O)OC(C)=O)C2(C)C)OC(=O)[C@H](O)[C@@H](NC(=O)C1=CC=CC=C1)C1=CC=CC=C1
| PubChem CID | 133640187 |
|---|---|
| CAS | 33069-62-4 |
| Molecular Weight (g/mol) | 853.92 |
| MDL Number | MFCD00869953 |
| SMILES | CC(=O)O[C@@H]1C2=C(C)[C@H](C[C@@](O)([C@@H](OC(=O)C3=CC=CC=C3)C3[C@@]4(CO[C@@H]4C[C@H](O)[C@@]3(C)C1=O)OC(C)=O)C2(C)C)OC(=O)[C@H](O)[C@@H](NC(=O)C1=CC=CC=C1)C1=CC=CC=C1 |
| Synonym | paclitaxel,taxol,taxol a,abraxane,paxene,paxceed,plaxicel,yewtaxan,onxol,ebetaxel |
| IUPAC Name | (1S,2S,4S,7R,9S,10S,12R,15S)-4,12-bis(acetyloxy)-1,9-dihydroxy-15-{[(2R,3S)-2-hydroxy-3-phenyl-3-(phenylformamido)propanoyl]oxy}-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.0³,¹⁰.0⁴,⁷]heptadec-13-en-2-yl benzoate |
| InChI Key | RCINICONZNJXQF-VAZQATRQSA-N |
| Molecular Formula | C47H51NO14 |