Deoxycholic acid

Catalog NumberBL-M000465
CAS Number83-44-3
DescriptionDeoxycholic 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).
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
SynonymsCholanoic 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
Molecular Weight392.58
Molecular FormulaC24H40O4
Boiling Point547.15°C at 760 mmHg
Melting Point171-174°C
Purity>98%
Density1.13 g/cm3
SolubilitySoluble in DMSO (Slightly), Ethanol (Slightly), Methanol (Slightly)
AppearanceWhite to Off-white Solid
Applicationhypotensive
Shelf Life1 Year
StorageStore at 2-8°C
Percent CompositionC 73.43%, H 10.27%, O 16.30%
Canonical SMILESCC(CCC(=O)O)C1CCC2C1(C(CC3C2CCC4C3(CCC(C4)O)C)O)C
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
InChI KeyKXGVEGMKQFWNSR-LLQZFEROSA-N

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