CHOLANATE2

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)/f/h28H

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

Names:
    CHOLANATE2
    3-alpha,12-alpha-dihydroxy-7-oxo-5-beta-cholanate
    4-(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

Registries:
    PubChem CID 302
    PubChem ID 2229