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


CAS No. : 10538-64-4

(3α,​5β,​7α)​-3,​7-​Dihydroxy-​12-​oxocholan-​24-​oic Acid Methyl Ester,10538-64-4
Product Details
Cat No:R034489
Synonyms:3α,7α-Dihydroxy-12-oxo-5β-cholan-24-oic Acid Methyl Ester; 3α,7α-Dihydroxy-12-oxo-5β-cholanic Acid Methyl Ester; 12-Ketochenodeoxycholic Acid Methyl Ester; 12-Monoketocholic Acid Methyl Ester; 3α,7α-Dihydroxy-12-oxo-5β-cholanic Acid Methyl Ester; Met
Molecular Formula:C25H40O5
Molecular Weight:420.59
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Cat No:R034489
Cas No:10538-64-4
Product-Name:(3α,​5β,​7α)​-3,​7-​Dihydroxy-​12-​oxocholan-​24-​oic Acid Methyl Ester
IUPAC Name:methyl (4R)-4-[(3R,5S,7R,8R,9S,10S,13R,14S,17R)-3,7-dihydroxy-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/C25H40O5/c1-14(5-8-22(29)30-4)17-6-7-18-23-19(13-21(28)25(17,18)3)24(2)10-9-16(26)11-15(24)12-20(23)27/h14-20,23,26-27H,5-13H2,1-4H3/t14-,15+,16-,17-,18+,19+,20-,23+,24+,25-/m1/s1
InChIKey:LGWDBNNCYKGKFM-DFAIRORGSA-N
SMILES:CC(CCC(=O)OC)C1CCC2C1(C(=O)CC3C2C(CC4C3(CCC(C4)O)C)O)C
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