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Steroids and derivatives

Any of a large class of organic compounds with a characteristic molecular structure containing four rings of carbon atoms (three six-membered and one five) and associated derivatives; includes many hormones, alkaloids, and vitamins.
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Keyword Search:
1 – 15 of 81 results
1

Calciferol

CAS: 50-14-6 Molecular Formula: C28H44O Molecular Weight (g/mol): 396.66 MDL Number: MFCD00166988,MFCD11656674 InChI Key: MECHNRXZTMCUDQ-VLOQVYPSSA-N Synonym: ergocalciferol,vitamin d2,calciferol,viosterol,oleovitamin d2,ercalciol,ergorone,detalup,condocaps,crystallina PubChem CID: 134129658 IUPAC Name: (1S)-3-[2-[(1S,7aR)-1-[(2R,5R)-5,6-dimethylhept-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol SMILES: CC(C)[C@@H](C)\C=C\[C@@H](C)[C@H]1CC[C@H]2\C(CCC[C@]12C)=C\C=C1/C[C@@H](O)CCC1=C

PubChem CID 134129658
CAS 50-14-6
Molecular Weight (g/mol) 396.66
MDL Number MFCD00166988,MFCD11656674
SMILES CC(C)[C@@H](C)\C=C\[C@@H](C)[C@H]1CC[C@H]2\C(CCC[C@]12C)=C\C=C1/C[C@@H](O)CCC1=C
Synonym ergocalciferol,vitamin d2,calciferol,viosterol,oleovitamin d2,ercalciol,ergorone,detalup,condocaps,crystallina
IUPAC Name (1S)-3-[2-[(1S,7aR)-1-[(2R,5R)-5,6-dimethylhept-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol
InChI Key MECHNRXZTMCUDQ-VLOQVYPSSA-N
Molecular Formula C28H44O
2

Methyl cholate, 97%

CAS: 1448-36-8 Molecular Formula: C25H42O5 Molecular Weight (g/mol): 422.606 MDL Number: MFCD00064934 InChI Key: DLYVTEULDNMQAR-BSEHQKOQSA-N Synonym: Cholic acid methyl ester PubChem CID: 133124937 IUPAC Name: methyl (4S)-4-[(3R,7S,8S,9R,10R,12R,13S,14R,17S)-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]pentanoate SMILES: CC(CCC(=O)OC)C1CCC2C1(C(CC3C2C(CC4C3(CCC(C4)O)C)O)O)C

PubChem CID 133124937
CAS 1448-36-8
Molecular Weight (g/mol) 422.606
MDL Number MFCD00064934
SMILES CC(CCC(=O)OC)C1CCC2C1(C(CC3C2C(CC4C3(CCC(C4)O)C)O)O)C
Synonym Cholic acid methyl ester
IUPAC Name methyl (4S)-4-[(3R,7S,8S,9R,10R,12R,13S,14R,17S)-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]pentanoate
InChI Key DLYVTEULDNMQAR-BSEHQKOQSA-N
Molecular Formula C25H42O5
3

Thermo Scientific Chemicals Finasteride, 98%

CAS: 98319-26-7 Molecular Formula: C23H36N2O2 Molecular Weight (g/mol): 372.54 InChI Key: DBEPLOCGEIEOCV-WSBQPABSSA-N Synonym: finasteride,proscar,propecia,finastid,prostide,chibro-proscar,finasterida,finasteridum,finpecia,finasteridum inn-latin PubChem CID: 57363 ChEBI: CHEBI:5062 IUPAC Name: (1S,3aS,3bS,5aR,9aR,9bS,11aS)-N-tert-butyl-9a,11a-dimethyl-7-oxo-1,2,3,3a,3b,4,5,5a,6,9b,10,11-dodecahydroindeno[5,4-f]quinoline-1-carboxamide SMILES: CC12CCC3C(C1CCC2C(=O)NC(C)(C)C)CCC4C3(C=CC(=O)N4)C

PubChem CID 57363
CAS 98319-26-7
Molecular Weight (g/mol) 372.54
ChEBI CHEBI:5062
SMILES CC12CCC3C(C1CCC2C(=O)NC(C)(C)C)CCC4C3(C=CC(=O)N4)C
Synonym finasteride,proscar,propecia,finastid,prostide,chibro-proscar,finasterida,finasteridum,finpecia,finasteridum inn-latin
IUPAC Name (1S,3aS,3bS,5aR,9aR,9bS,11aS)-N-tert-butyl-9a,11a-dimethyl-7-oxo-1,2,3,3a,3b,4,5,5a,6,9b,10,11-dodecahydroindeno[5,4-f]quinoline-1-carboxamide
InChI Key DBEPLOCGEIEOCV-WSBQPABSSA-N
Molecular Formula C23H36N2O2
5

Ecdysterone

CAS: 5289-74-7 Molecular Formula: C27H44O7 Molecular Weight (g/mol): 480.64 MDL Number: MFCD00036740 InChI Key: NKDFYOWSKOHCCO-YPVLXUMRSA-N Synonym: 20-hydroxyecdysone,ecdysterone,beta-ecdysone,crustecdysone,20-oh ecdysone,the-7,polypodine a,insect moulting hormone,commisterone,crustecdyson PubChem CID: 5459840 ChEBI: CHEBI:16587 IUPAC Name: (1S,3aS,5aR,7R,8S,9aR,9bR,11aR)-3a,7,8-trihydroxy-9a,11a-dimethyl-1-[(2R,3R)-2,3,6-trihydroxy-6-methylheptan-2-yl]-1H,2H,3H,3aH,5H,5aH,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-5-one SMILES: CC(C)(O)CC[C@@H](O)[C@](C)(O)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@@H](O)[C@@H](O)C[C@]4(C)[C@H]3CC[C@]12C

PubChem CID 5459840
CAS 5289-74-7
Molecular Weight (g/mol) 480.64
ChEBI CHEBI:16587
MDL Number MFCD00036740
SMILES CC(C)(O)CC[C@@H](O)[C@](C)(O)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@@H](O)[C@@H](O)C[C@]4(C)[C@H]3CC[C@]12C
Synonym 20-hydroxyecdysone,ecdysterone,beta-ecdysone,crustecdysone,20-oh ecdysone,the-7,polypodine a,insect moulting hormone,commisterone,crustecdyson
IUPAC Name (1S,3aS,5aR,7R,8S,9aR,9bR,11aR)-3a,7,8-trihydroxy-9a,11a-dimethyl-1-[(2R,3R)-2,3,6-trihydroxy-6-methylheptan-2-yl]-1H,2H,3H,3aH,5H,5aH,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-5-one
InChI Key NKDFYOWSKOHCCO-YPVLXUMRSA-N
Molecular Formula C27H44O7
8

Thermo Scientific Chemicals Hydrocortisone, 98%

CAS: 50-23-7 Molecular Formula: C21H30O5 Molecular Weight (g/mol): 362.47 MDL Number: MFCD00011654 InChI Key: JYGXADMDTFJGBT-VWUMJDOOSA-N Synonym: hydrocortisone,cortisol,acticort,cetacort,cortef,17-hydroxycorticosterone,hydrocortisyl,hydrasson,cobadex,cortril PubChem CID: 5754 ChEBI: CHEBI:17650 IUPAC Name: (8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one SMILES: CC12CCC(=O)C=C1CCC3C2C(CC4(C3CCC4(C(=O)CO)O)C)O

PubChem CID 5754
CAS 50-23-7
Molecular Weight (g/mol) 362.47
ChEBI CHEBI:17650
MDL Number MFCD00011654
SMILES CC12CCC(=O)C=C1CCC3C2C(CC4(C3CCC4(C(=O)CO)O)C)O
Synonym hydrocortisone,cortisol,acticort,cetacort,cortef,17-hydroxycorticosterone,hydrocortisyl,hydrasson,cobadex,cortril
IUPAC Name (8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one
InChI Key JYGXADMDTFJGBT-VWUMJDOOSA-N
Molecular Formula C21H30O5
9

Medroxyprogesterone acetate, 97%, Thermo Scientific Chemicals

CAS: 71-58-9 Molecular Formula: C24H34O4 Molecular Weight (g/mol): 386.52 InChI Key: PSGAAPLEWMOORI-PEINSRQWSA-N Synonym: medroxyprogesterone acetate,medroxyprogesterone 17-acetate,metigestrona,provera,depo-provera,gestapuran,farlutin,perlutex,veramix,methylacetoxyprogesterone PubChem CID: 6279 ChEBI: CHEBI:6716 IUPAC Name: [(6S,8R,9S,10R,13S,14S,17R)-17-acetyl-6,10,13-trimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl] acetate SMILES: CC1CC2C(CCC3(C2CCC3(C(=O)C)OC(=O)C)C)C4(C1=CC(=O)CC4)C

PubChem CID 6279
CAS 71-58-9
Molecular Weight (g/mol) 386.52
ChEBI CHEBI:6716
SMILES CC1CC2C(CCC3(C2CCC3(C(=O)C)OC(=O)C)C)C4(C1=CC(=O)CC4)C
Synonym medroxyprogesterone acetate,medroxyprogesterone 17-acetate,metigestrona,provera,depo-provera,gestapuran,farlutin,perlutex,veramix,methylacetoxyprogesterone
IUPAC Name [(6S,8R,9S,10R,13S,14S,17R)-17-acetyl-6,10,13-trimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl] acetate
InChI Key PSGAAPLEWMOORI-PEINSRQWSA-N
Molecular Formula C24H34O4
10

Cyproterone acetate, 98%, Thermo Scientific Chemicals

CAS: 427-51-0 Molecular Formula: C24H29ClO4 Molecular Weight (g/mol): 416.94 InChI Key: UWFYSQMTEOIJJG-FDTZYFLXSA-N Synonym: cyproterone acetate,androcur,cyproterone 17-o-acetate,cyproteron acetate,cyproteron-r acetate,cyprosterone acetate,unii-4km2bn5jhf,cyproteroneacetate,cyproterone 17alpha-acetate,ccris 4385 PubChem CID: 9880 ChEBI: CHEBI:50743 SMILES: CC(=O)C1(CCC2C1(CCC3C2C=C(C4=CC(=O)C5CC5C34C)Cl)C)OC(=O)C

PubChem CID 9880
CAS 427-51-0
Molecular Weight (g/mol) 416.94
ChEBI CHEBI:50743
SMILES CC(=O)C1(CCC2C1(CCC3C2C=C(C4=CC(=O)C5CC5C34C)Cl)C)OC(=O)C
Synonym cyproterone acetate,androcur,cyproterone 17-o-acetate,cyproteron acetate,cyproteron-r acetate,cyprosterone acetate,unii-4km2bn5jhf,cyproteroneacetate,cyproterone 17alpha-acetate,ccris 4385
InChI Key UWFYSQMTEOIJJG-FDTZYFLXSA-N
Molecular Formula C24H29ClO4
11

Hydrocortisone acetate, 97+%

CAS: 50-03-3 Molecular Formula: C23H32O6 Molecular Weight (g/mol): 404.50 MDL Number: MFCD00037714 InChI Key: ALEXXDVDDISNDU-JZYPGELDSA-N Synonym: hydrocortisone acetate,cortell,cortisol 21-acetate,cortisol acetate,cortacream,hydrocortisat,abbocort,bambicort,biocortar,chemysone PubChem CID: 5744 ChEBI: CHEBI:17609 SMILES: CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@]12C

PubChem CID 5744
CAS 50-03-3
Molecular Weight (g/mol) 404.50
ChEBI CHEBI:17609
MDL Number MFCD00037714
SMILES CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@]12C
Synonym hydrocortisone acetate,cortell,cortisol 21-acetate,cortisol acetate,cortacream,hydrocortisat,abbocort,bambicort,biocortar,chemysone
InChI Key ALEXXDVDDISNDU-JZYPGELDSA-N
Molecular Formula C23H32O6
12

Norethisterone, Thermo Scientific Chemicals

CAS: 68-22-4 Molecular Formula: C20H26O2 Molecular Weight (g/mol): 298.42 InChI Key: VIKNJXKGJWUCNN-XGXHKTLJSA-N Synonym: norethindrone,norethisterone,norethisteron,micronor,19-norethisterone,norcolut,noriday,norlutin,primolut-n,norethynodrone PubChem CID: 6230 ChEBI: CHEBI:7627 IUPAC Name: (8R,9S,10R,13S,14S,17R)-17-ethynyl-17-hydroxy-13-methyl-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one SMILES: CC12CCC3C(C1CCC2(C#C)O)CCC4=CC(=O)CCC34

PubChem CID 6230
CAS 68-22-4
Molecular Weight (g/mol) 298.42
ChEBI CHEBI:7627
SMILES CC12CCC3C(C1CCC2(C#C)O)CCC4=CC(=O)CCC34
Synonym norethindrone,norethisterone,norethisteron,micronor,19-norethisterone,norcolut,noriday,norlutin,primolut-n,norethynodrone
IUPAC Name (8R,9S,10R,13S,14S,17R)-17-ethynyl-17-hydroxy-13-methyl-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one
InChI Key VIKNJXKGJWUCNN-XGXHKTLJSA-N
Molecular Formula C20H26O2
13

Hydrocortisone, 98%

CAS: 50-23-7 Molecular Formula: C21H30O5 MDL Number: MFCD00011654 InChI Key: JYGXADMDTFJGBT-VWUMJDOOSA-N Synonym: hydrocortisone,cortisol,acticort,cetacort,cortef,17-hydroxycorticosterone,hydrocortisyl,hydrasson,cobadex,cortril PubChem CID: 5754 ChEBI: CHEBI:17650

PubChem CID 5754
CAS 50-23-7
ChEBI CHEBI:17650
MDL Number MFCD00011654
Synonym hydrocortisone,cortisol,acticort,cetacort,cortef,17-hydroxycorticosterone,hydrocortisyl,hydrasson,cobadex,cortril
InChI Key JYGXADMDTFJGBT-VWUMJDOOSA-N
Molecular Formula C21H30O5
14

Thermo Scientific Chemicals Ouabain octahydrate, 96%

CAS: 11018-89-6 Molecular Formula: C29H44O12·8H2O Molecular Weight (g/mol): 728.78 MDL Number: MFCD00149240 InChI Key: TYBARJRCFHUHSN-DMJRSANLSA-N Synonym: ouabain octahydrate,strophantine octahydrate,quabain octahydrate,ouabain usp,penta a phenanthren-17-yl-2h-furan-5-one;octahydrate,gamma-strophanthin,3-1r,3s,5s,8r,9s,10r,11r,13r,14s,17r-1,5,11,14-tetrahydroxy-10-hydroxymethyl-13-methyl-3-2r,3r,4r,5r,6s-3,4,5-trihydroxy-6-methyloxan-2-yl oxy-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1h-cyclo,prestwick_370,acocantherine;g-strophanthin PubChem CID: 6364534 IUPAC Name: 3-[(1R,3S,5S,8R,9S,10R,11R,13R,14S,17R)-1,5,11,14-tetrahydroxy-10-(hydroxymethyl)-13-methyl-3-[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2H-furan-5-one;octahydrate SMILES: CC1C(C(C(C(O1)OC2CC(C3(C4C(CCC3(C2)O)C5(CCC(C5(CC4O)C)C6=CC(=O)OC6)O)CO)O)O)O)O.O.O.O.O.O.O.O.O

PubChem CID 6364534
CAS 11018-89-6
Molecular Weight (g/mol) 728.78
MDL Number MFCD00149240
SMILES CC1C(C(C(C(O1)OC2CC(C3(C4C(CCC3(C2)O)C5(CCC(C5(CC4O)C)C6=CC(=O)OC6)O)CO)O)O)O)O.O.O.O.O.O.O.O.O
Synonym ouabain octahydrate,strophantine octahydrate,quabain octahydrate,ouabain usp,penta a phenanthren-17-yl-2h-furan-5-one;octahydrate,gamma-strophanthin,3-1r,3s,5s,8r,9s,10r,11r,13r,14s,17r-1,5,11,14-tetrahydroxy-10-hydroxymethyl-13-methyl-3-2r,3r,4r,5r,6s-3,4,5-trihydroxy-6-methyloxan-2-yl oxy-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1h-cyclo,prestwick_370,acocantherine;g-strophanthin
IUPAC Name 3-[(1R,3S,5S,8R,9S,10R,11R,13R,14S,17R)-1,5,11,14-tetrahydroxy-10-(hydroxymethyl)-13-methyl-3-[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2H-furan-5-one;octahydrate
InChI Key TYBARJRCFHUHSN-DMJRSANLSA-N
Molecular Formula C29H44O12·8H2O
15

Zinc gluconate hydrate, 97%

CAS: 4468-02-4 MDL Number: MFCD00868110

CAS 4468-02-4
MDL Number MFCD00868110