Sodium dehydrocholate

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

Molecular Formula: C₂₄H₃₃NaO₅

InChI: InChI=1/C24H34O5.Na/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);/q;+1/p-1/t13-,14u,16-,17u,18u,22u,23+,24-;/m1./s1/fC24H33O5.Na/q-1;m

InChIKey: InChIKey=FKJIJBSJQSMPTI-LEKFAWRWDM
SMILES: CC(CCC(=O)[O-])C1CCC2C1(C(=O)CC3C2C(=O)CC4C3(CCC(=O)C4)C)C.[Na+]

Names:
    Sodium dehydrocholate
    sodium (4R)-4-[(10S,13R,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]pentanoate

Registries:
    PubChem CID 5702032
    PubChem ID 8149285