Deoxycholic acid

Inquiry

For Research Use Only.

Category

Steroids

Cat.No.

NP6088

CAS

83-44-3

Product Name

Deoxycholic acid

Structure

Product Details

Description

Deoxycholic acid is one of the secondary bile acids, which are metabolic byproducts of intestinal bacteria. Deoxycholic acid is specifically responsible for activating the G-protein-coupled bile acid receptor TGR5, stimulating the thermogenic activity of brown adipose tissue (BAT).

Synonyms

Cholanoic Acid; Desoxycholic acid; 3α,12α-dihydroxy-5β-cholanate; Deoxycholate; Cholerebic; Degalol; Droxolan; Pyrochol; 5β-cholanic acid-3α,12α-diol; 7-Deoxycholic acid; 5β-Deoxycholic Acid; NSC 8797; Septocholl; Ursodeoxycholic Acid EP Impurity E

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

Molecular Weight

392.58

Molecular Formula

C24H40O4

Canonical SMILES

CC(CCC(=O)O)C1CCC2C1(C(CC3C2CCC4C3(CCC(C4)O)C)O)C

InChI

InChI=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

InChIKey

KXGVEGMKQFWNSR-LLQZFEROSA-N

Boiling Point

547.15°C at 760 mmHg

Melting Point

171-174°C

Purity

>98%

Density

1.13 g/cm3

Solubility

Soluble in DMSO (Slightly), Ethanol (Slightly), Methanol (Slightly)