deoxycholic acid

[1. a bile acid and choleretic; used in biochemical preparations as a detergent.

Molecular Formula: C₂₄H₄₀O₄

InChI: InChI=1/C24H40O4/c1-14(4-9-22(27)28)18-7-8-19-17-6-5-15-12-16(25)10-11-23(15,2)20(17)13-21(26)24(18,19)3/h14-21,25-26H,4-13H2,1-3H3,(H,27,28)/t14-,15-,16-,17+,18-,19+,20+,21+,23+,24-/m1/s1/f/h27H

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

CAS number 83-44-3

Names:
    Deoxycholate
    Deoxycholic acid
    deoxycholic acid
    NCI60_041946
    (4R)-4-[(3R,5R,8S,9S,10S,12S,13R,14S,17R)-3,12-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid
    3alpha,12alpha-Dihydroxy-5beta-cholanate
    3alpha,12alpha-Dihydroxy-5beta-cholanic acid

Registries:
    PubChem CID 222528
    Beilstein =3219882
    CAS 83-44-3 (from NIST)
    ChEBI 28834
    chemPDB DXC
    Gmelin 670078
    Kegg C04483
    PubChem ID 11446298
    PubChem ID 7102