3alpha,12alpha-Dihydroxy-7-oxo-5beta-cholanate

Molecular Formula: C₂₄H₃₈O₅

InChI: InChI=1/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+/m0/s1/f/h28H

InChIKey: InChIKey=RHCPKKNRWFXMAT-FWQNIKNTDM
SMILES: CC(CCC(=O)O)C1CCC2C1(C(CC3C2C(=O)CC4C3(CCC(C4)O)C)O)C

Names:
    C04643
    (4S)-4-[(3R,5S,8S,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
    3alpha,12alpha-Dihydroxy-7-oxo-5beta-cholanate

Registries:
    PubChem CID 440419
    PubChem ID 7232