Deoxycholic Acid- CAS 83-44-3

Deoxycholic acid, also known as deoxycholate, cholanoic acid, and 3α,12α-dihydroxy-5β-cholanate, is a bile acid. Deoxycholic acid is one of the secondary bile acids, which are metabolic byproducts of intestinal bacteria. Deoxycholic acid has been used since its discovery in various fields of human medicine. In the human body deoxycholic acid is used in the emulsification of fats for the absorption in the intestine. Outside the body it is used in experimental basis of cholagogues and is also in use to prevent and dissolve gallstones.

Catalog Number: A000020

CAS Number: 83-44-3

PubChem Substance ID:355159722

Molecular Formula: C24H40O4

Molecular Weight:392.58

Purity: ≥95%

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* For research use only. Not for human or veterinary use.

Synonym

SynonymsDeoxycholate, Desoxycholic acid, Cholerebic, Cholorebic

Property

Molecular Formula: C24H40O4
Molecular Weight392.58
Purity≥95%
StorageRoom temperature

Computed Descriptor

IUPAC Name(4R)-4-[(3R,5R,8R,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
InChIInChI=1S/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
InChIKeyKXGVEGMKQFWNSR-LLQZFEROSA-N
SMILESCC(CCC(=O)O)C1CCC2C1(C(CC3C2CCC4C3(CCC(C4)O)C)O)C