(3α,​5β,​7α)​-7-​(Acetyloxy)​-​3-​hydroxy-​12-​oxocholan-​24-​oic Acid Methyl Ester


CAS No. : 71837-87-1

(3α,​5β,​7α)​-7-​(Acetyloxy)​-​3-​hydroxy-​12-​oxocholan-​24-​oic Acid Methyl Ester, 71837-87-1
Product Details
Cat No:R034492
Synonyms:3α,7α-Dihydroxy-12-oxo-5β-cholanic Acid Methyl Ester 7-Acetate
Molecular Formula:C27H42O6
Molecular Weight:462.627
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Cat No:R034492
Cas No: 71837-87-1
Product-Name:(3α,​5β,​7α)​-7-​(Acetyloxy)​-​3-​hydroxy-​12-​oxocholan-​24-​oic Acid Methyl Ester
IUPAC Name:methyl (4R)-4-[(3R,5S,7R,8R,9S,10S,13R,14S,17R)-7-acetyloxy-3-hydroxy-10,13-dimethyl-12-oxo-1,2,3,4,5,6,7,8,9,11,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pentanoate
InChI:InChI=1S/C27H42O6/c1-15(6-9-24(31)32-5)19-7-8-20-25-21(14-23(30)27(19,20)4)26(3)11-10-18(29)12-17(26)13-22(25)33-16(2)28/h15,17-22,25,29H,6-14H2,1-5H3/t15-,17+,18-,19-,20+,21+,22-,25+,26+,27-/m1/s1
InChIKey:MWUBEKFSCVGPKW-OYYDADKJSA-N
SMILES:CC(CCC(=O)OC)C1CCC2C1(C(=O)CC3C2C(CC4C3(CCC(C4)O)C)OC(=O)C)C
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