7-Ketodeoxycholic acid

Impureza

Esta molécula é um impureza de Ursodeoxycholic Acid.

Impureza

7-Ketodeoxycholic acid

Cat. No. ANTPRD13667CAS 911-40-0ConsulteSintetizado

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Dados Técnicos

Cat. No.ANTPRD13667

CAS911-40-0

Fórmula Mol.C₂₄H₃₈O₅

Peso Mol.406.563 g/mol

IUPAC(4R)-4-[(3R,5S,8R,9S,10S,12S,13R,14S,17R)-3,12-dihydroxy-10,13-dimethyl-7-oxo-1,2,3,4,5,6,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pentanoic acid

SMILESC[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3C(=O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C

InChIInChI=1S/C24H38O5/c1-13(4-7-21(28)29)16-5-6-17-22-18(12-20(27)24(16,17)3)23(2)9-8-15(25)10-14(23)11-19(22)26/h13-18,20,22,25,27H,4-12H2,1-3H3,(H,28,29)/t13-,14+,15-,16-,17+,18+,20+,22+,23+,24-/m1/s1

Chave InChIRHCPKKNRWFXMAT-RRWYKFPJSA-N

Descrição

Visão geral

7-Ketodeoxycholic acid, Ursodeoxycholic Acid, 911-40-0, (4R)-4-[(3R,5S,8R,9S,10S,12S,13R,14S,17R)-3,12-dihydroxy-10,13-dimethyl-7-oxo-1,2,3,4,5,6,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pentanoic acid

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Sinônimos

7-Ketodeoxycholic acid7-Oxodeoxycholic acid3alpha,12alpha-Dihydroxy-7-oxo-5beta-cholan-24-oic Acid3alpha,12alpha-Diol-7-one-5beta-cholanoic acid(3alpha,5beta,12alpha)-3,12-Dihydroxy-7-oxocholan-24-oic acid(3 alpha,5 beta,12 alpha)-3,12-dihydroxy-7-oxocholan-24-oic acid7-keto-Deoxycholic acid3a,12a-dihydroxy-7-oxo-5b-cholan-24-oic acid7-oxodeoxycholate(4R)-4-[(3R,5S,8R,9S,10S,12S,13R,14S,17R)-3,12-dihydroxy-10,13-dimethyl-7-oxo-1,2,3,4,5,6,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pentanoic acid