Dehydrocholic acid

Dehydrocholic Acid A semisynthetic bile acid made from cholic acid. It is used as a cholagogue, hydrocholeretic, diuretic, and as a diagnostic aid.

[1. Agent with a stimulating effect on the secretion of bile by the liver (choleretic); improves absorption of essential food materials in states associated with deficient bile formation.

Molecular Formula: C₂₄H₃₄O₅

InChI: InChI=1/C24H34O5/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/h13-14,16-18,22H,4-12H2,1-3H3,(H,28,29)/t13-,14+,16-,17+,18+,22+,23+,24-/m1/s1/f/h28H

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

CAS number 81-23-2

Names:
    Decholin
    dehydrocholic acid
    Dehydrocholic acid
    Prestwick_498
    (4R)-4-[(5S,8S,9S,10S,13R,14S,17R)-10,13-dimethyl-3,7,12-trioxo-1,2,4,5,6,8,9,11,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]pentanoic acid
    3,7,12-triketocholanic acid
    3,7,12-Triketo-5beta-cholanoic acid
    3,7,12-trioxocholanic acid
    3,7,12-trioxo-5beta-cholanic acid
    3,7,12-trioxo-5β-cholanic acid
    81-23-2

Registries:
    PubChem CID 6674
    Beilstein =3226734
    CAS 81-23-2 (from NIST)
    ChEBI 31459
    Gmelin 1109714
    Kegg C13154
    Kegg D01693
    PubChem ID 10321484
    PubChem ID 585218