3alpha,7alpha-dihydroxy-12-oxo-5beta-cholan-24-oate

Molecular Formula: C₂₄H₃₇O₅^-

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/h13-19,22,25-26H,4-12H2,1-3H3,(H,28,29)/p-1/t13-,14+,15-,16-,17+,18+,19-,22+,23+,24-/m1/s1/fC24H37O5/q-1

InChIKey: InChIKey=MIHNUBCEFJLAGN-MCIJMCIUDO
SMILES: [H][C@@]12C[C@H](O)CC[C@]1(C)[C@@]3([H])CC(=O)[C@]4(C)[C@]([H])(CC[C@@]4([H])[C@]3([H])[C@H](O)C2)[C@H](C)CCC([O-])=O

Names:
    CHEBI:11901
    (4R)-4-[(3R,5S,7R,8S,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
    3alpha,7alpha-Dihydroxy-12-oxo-5beta-cholanate
    3alpha,7alpha-dihydroxy-12-oxo-5beta-cholanate
    3alpha,7alpha-dihydroxy-12-oxo-5beta-cholan-24-oate

Registries:
    PubChem CID 9548900
    ChEBI 11901
    PubChem ID 14718469