Phenylpropanoids and polyketides
Thermo Scientific Chemicals 4-Epioxytetracycline, 'can be used as secondary standard'
CAS: 14206-58-7 Formule moléculaire: C22H24N2O9 Poids moléculaire (g/mol): 460.43 Numéro MDL: MFCD00062825 Clé InChI: OWFJMIVZYSDULZ-DVJPNYBFSA-N Synonyme: 4-epioxytetracyline,unii-73von8sry5,4-epioxytetracycline,73von8sry5,4r,4ar,5s,5ar,6s,12as-4-dimethylamino-3,5,6,10,12,12a-hexahydroxy-6-methyl-1,11-dioxo-4,4a,5,5a-tetrahydrotetracene-2-carboxamide,hydroxy quatrimycin,oxytetracycline dihydrate specified impurity a ep,oxytetracycline hydrochloride specified impurity a ep,4r,4ar,5s,5ar,6s,12as-4-dimethylamino-3,5,6,10,12,12a-hexahydroxy-6-methyl-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboxamide,2-naphthacenecarboxamide, 4-dimethylamino-1,4,4a,5,5a,6,11,12a-octahydro-3,5,6,10,12,12a-hexahydroxy-6-methyl-1,11-dioxo-, 4r,4ar,5s,5ar,6s,12as CID PubChem: 54678403 Nom IUPAC: (4R,4aR,5S,5aR,6S,12aR)-4-(dimethylamino)-1,5,6,10,11,12a-hexahydroxy-6-methyl-3,12-dioxo-4,4a,5,5a-tetrahydrotetracene-2-carboxamide SMILES: CC1(C2C(C3C(C(=O)C(=C(C3(C(=O)C2=C(C4=C1C=CC=C4O)O)O)O)C(=O)N)N(C)C)O)O
Acetylsalicylsalicylic acid, 97%
CAS: 530-75-6 Formule moléculaire: C16H12O6 Poids moléculaire (g/mol): 300.26 Numéro MDL: MFCD00143537 Clé InChI: DDSFKIFGAPZBSR-UHFFFAOYSA-N Synonyme: 2-2-acetoxybenzoyl oxy benzoic acid,acetylsalicylsalicylic acid,acesalum,acetylsalicylsalicyic acid,diplosal acetate,unii-vbe72mcp5l,2-carboxyphenyl 2-acetyloxy benzoate,diplosalsalate,ccris 1740,benzoic acid, 2-acetyloxy-, 2-carboxyphenyl ester CID PubChem: 10745 Nom IUPAC: 2-(2-acetyloxybenzoyl)oxybenzoic acid SMILES: CC(=O)OC1=CC=CC=C1C(=O)OC2=CC=CC=C2C(=O)O
4-Hydroxy-3-methoxycinnamic acid, 99%
CAS: 1135-24-6 Formule moléculaire: C10H10O4 Poids moléculaire (g/mol): 194.19 Numéro MDL: MFCD00004400 Clé InChI: KSEBMYQBYZTDHS-HWKANZROSA-N Synonyme: ferulic acid,trans-ferulic acid,4-hydroxy-3-methoxycinnamic acid,trans-4-hydroxy-3-methoxycinnamic acid,3-4-hydroxy-3-methoxyphenyl acrylic acid,e-ferulic acid,coniferic acid,ferulate,ferulic acid, trans,2-propenoic acid, 3-4-hydroxy-3-methoxyphenyl CID PubChem: 445858 ChEBI: CHEBI:17620 Nom IUPAC: (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic acid SMILES: COC1=C(C=CC(=C1)C=CC(=O)O)O
Thermo Scientific Chemicals 7-Hydroxy-4-methylcoumarin, 97%
CAS: 90-33-5 Formule moléculaire: C10H8O3 Poids moléculaire (g/mol): 176.17 Numéro MDL: MFCD00006866 Clé InChI: HSHNITRMYYLLCV-UHFFFAOYSA-N Synonyme: 4-methylumbelliferone,hymecromone,7-hydroxy-4-methylcoumarin,imecromone,7-hydroxy-4-methyl-2h-chromen-2-one,cholestil,mendiaxon,4-methyl-7-hydroxycoumarin,beta-methylumbelliferone,bilcolic CID PubChem: 5280567 ChEBI: CHEBI:17224 Nom IUPAC: 7-hydroxy-4-methylchromen-2-one SMILES: CC1=CC(=O)OC2=CC(O)=CC=C12
Hydrocinnamic acid, 99%
CAS: 501-52-0 Formule moléculaire: C9H10O2 Poids moléculaire (g/mol): 150.18 Numéro MDL: MFCD00002771 Clé InChI: XMIIGOLPHOKFCH-UHFFFAOYSA-N Synonyme: hydrocinnamic acid,3-phenylpropionic acid,benzylacetic acid,benzenepropanoic acid,dihydrocinnamic acid,benzenepropionic acid,phenylpropanoic acid,3-phenyl-propionic acid,phenylpropanoate,beta-phenylpropionic acid CID PubChem: 107 ChEBI: CHEBI:28631 Nom IUPAC: 3-phenylpropanoic acid SMILES: C1=CC=C(C=C1)CCC(=O)O
Chalcone, 97%
CAS: 94-41-7 Formule moléculaire: C15H12O Poids moléculaire (g/mol): 208.26 Numéro MDL: MFCD00003082 Clé InChI: DQFBYFPFKXHELB-VAWYXSNFSA-N Synonyme: chalcone,trans-chalcone,e-chalcone,benzalacetophenone,chalkone,benzylideneacetophenone,phenyl styryl ketone,cinnamophenone,2-benzalacetophenone,2-benzylideneacetophenone CID PubChem: 637760 ChEBI: CHEBI:48965 SMILES: O=C(\C=C\C1=CC=CC=C1)C1=CC=CC=C1
Paraffin, liquid, pure
CAS: 8012-95-1 Formule moléculaire: MFCD00131611 Poids moléculaire (g/mol): 0.00 Numéro MDL: MFCD00131611 Clé InChI: FFNDMZIBVDSQFI-UHFFFAOYSA-N Synonyme: delphinidin chloride,delphinidin,delphinidine,delphinidol,ephdine,delfinidol chloride,unii-em6md4aehe,ccris 2518,em6md4aehe,3,5,7-trihydroxy-2-3,4,5-trihydroxyphenyl benzopyrylium chloride CID PubChem: 68245 ChEBI: CHEBI:38701 Nom IUPAC: 2-(3,4,5-trihydroxyphenyl)chromenylium-3,5,7-triol;chloride SMILES: *
Quercetin hydrate, 95%
CAS: 849061-97-8 Formule moléculaire: C15H10O7 Poids moléculaire (g/mol): 302.24 Numéro MDL: MFCD03847906 Clé InChI: REFJWTPEDVJJIY-UHFFFAOYSA-N Synonyme: quercetin hydrate,2-3,4-dihydroxyphenyl-3,5,7-trihydroxy-4h-chromen-4-one hydrate,quercetinhydrate,quercetine sophoretin /,regid_for_cid_747934,regid_for_cid_16212154,3,3;,4;,5,7-pentahydroxyflavon,2-3,4-dihydroxyphenyl-3,5,7-trihydroxychromen-4-one, hydrate CID PubChem: 16212154 Nom IUPAC: 2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxychromen-4-one;hydrate SMILES: OC1=CC(O)=C2C(OC(=C(O)C2=O)C2=CC(O)=C(O)C=C2)=C1
Coumarin-3-carboxylic acid, 98%
CAS: 531-81-7 Formule moléculaire: C10H6O4 Poids moléculaire (g/mol): 190.15 Numéro MDL: MFCD00006852 Clé InChI: ACMLKANOGIVEPB-UHFFFAOYSA-N Synonyme: coumarin-3-carboxylic acid,2-oxo-2h-chromene-3-carboxylic acid,3-carboxycoumarin,2-oxobenzopyran-3-carboxylic acid,g 1 rodenticide,2h-1-benzopyran-3-carboxylic acid, 2-oxo,2-oxo-2h-1-benzopyran-3-carboxylic acid,unii-v85uov8788,g 1 the rodenticide van,g 1 van CID PubChem: 10752 Nom IUPAC: 2-oxochromene-3-carboxylic acid SMILES: C1=CC=C2C(=C1)C=C(C(=O)O2)C(=O)O
alpha-Methylhydrocinnamic acid, 98%
CAS: 1009-67-2 Formule moléculaire: C10H12O2 Poids moléculaire (g/mol): 164.20 Numéro MDL: MFCD00192301 Clé InChI: MCIIDRLDHRQKPH-UHFFFAOYNA-N Synonyme: 2-benzylpropionic acid,alpha-methylhydrocinnamic acid,2-methyl-3-phenylpropionic acid,2-benzylpropanoic acid,2-methyl-3-phenyl-propionic acid,acmc-20ao3h,alpha-methylhydrocinnamicacid,alpha-methyl-hydrocinnamic acid,2-methyl-3-phenyl-propanoic acid,# CID PubChem: 99862 Nom IUPAC: 2-methyl-3-phenylpropanoic acid SMILES: CC(CC1=CC=CC=C1)C(O)=O
Rifabutin, 98%, Thermo Scientific Chemicals
CAS: 72559-06-9 Formule moléculaire: C46H62N4O11 Poids moléculaire (g/mol): 847.02 Numéro MDL: MFCD00866816 Clé InChI: ATEBXHFBFRCZMA-VXTBVIBXSA-N Synonyme: rifabutin,ansamycin,rifabutine,mycobutin,ansatipine,ansatipin,alfacid,rifabutina,rifabutinum,antibiotic lm 427 CID PubChem: 57448257 Nom IUPAC: (7S,9E,11S,12R,13S,14R,15R,16R,17S,18S,19E,21Z)-2,15,17-trihydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-1'-(2-methylpropyl)-6,23,32-trioxo-8,33-dioxa-24,27,29-triazaspiro[pentacyclo[23.6.1.1⁴,⁷.0⁵,³¹.0²⁶,³⁰]tritriacontane-28,4'-piperidin]-1,3,5(31),9,19,21,25,29-octaen-13-yl acetate SMILES: CO[C@H]1\C=C\O[C@@]2(C)OC3=C(C)C(O)=C4C(=O)C(NC(=O)\C(C)=C/C=C/[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C)=C1NC5(CCN(CC(C)C)CC5)N=C1C4=C3C2=O
1,3-Diphenyl-1,3-propanedione, 98+%
CAS: 120-46-7 Formule moléculaire: C15H12O2 Poids moléculaire (g/mol): 224.259 Numéro MDL: MFCD00003085 Clé InChI: NZZIMKJIVMHWJC-UHFFFAOYSA-N Synonyme: dibenzoylmethane,1,3-diphenyl-1,3-propanedione,2-benzoylacetophenone,phenyl phenacyl ketone,1,3-propanedione, 1,3-diphenyl,rhodiastab 83,omega-benzoylacetophenone,dibenzoyl-methane,karenzu dk2,unii-ans7me8okc CID PubChem: 8433 ChEBI: CHEBI:75417 Nom IUPAC: 1,3-diphenylpropane-1,3-dione SMILES: C1=CC=C(C=C1)C(=O)CC(=O)C2=CC=CC=C2
4-Methoxycoumarin, 98%
CAS: 20280-81-3 Formule moléculaire: C10H8O3 Poids moléculaire (g/mol): 176.171 Numéro MDL: MFCD00017349 Clé InChI: MLCMXDYMSAZNPC-UHFFFAOYSA-N CID PubChem: 529426 Nom IUPAC: 4-methoxychromen-2-one SMILES: COC1=CC(=O)OC2=CC=CC=C21
3-(4-Methoxyphenyl)propionic acid, 98%
CAS: 1929-29-9 Formule moléculaire: C10H12O3 Poids moléculaire (g/mol): 180.203 Numéro MDL: MFCD00002777 Clé InChI: FIUFLISGGHNPSM-UHFFFAOYSA-N Synonyme: 3-4-methoxyphenyl propanoic acid,3-4-methoxyphenyl propionic acid,benzenepropanoic acid, 4-methoxy,p-methoxyhydrocinnamic acid,3-p-methoxyphenyl propionic acid,3-4-methoxy-phenyl-propionic acid,4-methoxyhydrocinnamic acid,3-4-methoxyphenyl-propionic acid,4-methoxyhydro cinnamic acid,hydrocinnamic acid, p-methoxy CID PubChem: 95750 Nom IUPAC: 3-(4-methoxyphenyl)propanoic acid SMILES: COC1=CC=C(C=C1)CCC(=O)O
1,3-Dibenzoyloxybenzene, 98%, Thermo Scientific Chemicals
CAS: 94-01-9 Formule moléculaire: C20H14O4 Poids moléculaire (g/mol): 318.33 Numéro MDL: MFCD00016576 Clé InChI: SUQGLJRNDJRARS-UHFFFAOYSA-N Synonyme: 1,3-dibenzoyloxybenzene,resorcinol dibenzoate,1,3-benzenediol, dibenzoate,1,3-phenylene dibenzoate,m-phenylene dibenzoate,resorcinol, dibenzoate,1,3-bis benzoyloxy benzene,3-benzoyloxy phenyl benzoate,1,3-benzenediol, 1,3-dibenzoate,1,3-phenylenedibenzoate CID PubChem: 66742 Nom IUPAC: (3-benzoyloxyphenyl) benzoate SMILES: O=C(OC1=CC(OC(=O)C2=CC=CC=C2)=CC=C1)C1=CC=CC=C1