3-oxo-5beta-cholanic acid

Molecular Formula: C₂₄H₃₈O₃

InChI: InChI=1/C24H38O3/c1-15(4-9-22(26)27)19-7-8-20-18-6-5-16-14-17(25)10-12-23(16,2)21(18)11-13-24(19,20)3/h15-16,18-21H,4-14H2,1-3H3,(H,26,27)/t15-,16-,18+,19-,20+,21+,23+,24-/m1/s1/f/h26H

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

CAS number 1553-56-6

Names:
    (4R)-4-[(5R,8S,9S,10S,13R,14S,17R)-10,13-dimethyl-3-oxo-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pentanoic acid
    3-ketolithocholic acid
    3-oxocholan-24-oic acid
    3-Oxo-5beta-cholanate
    3-oxo-5beta-cholanic acid

Registries:
    PubChem CID 5283906
    Beilstein =3218542
    CAS 1553-56-6 (from NIST)
    ChEBI 17639
    Kegg C03070
    PubChem ID 11039138
    PubChem ID 5970