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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.
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pre_formula( "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", "jqp017/6674.html" ); ?>
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
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Registries:
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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
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