Hyodeoxycholic acid (HDCA)

Catalog NumberBL-M000470
CAS Number83-49-8
DescriptionHyodeoxycholic acid is a secondary bile acid, one of the metabolic byproducts of intestinal bacteria. It is a TGR5 (GPCR19) agonist, with an EC50 of 31.6 μM in CHO cells.
IUPAC Name(4R)-4-[(3R,5R,6S,8S,9S,10R,13R,14S,17R)-3,6-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
SynonymsIodeoxycholic acid; 7-Deoxyhyocholic acid; 3α,6α-Dihydroxy-5β-cholan-24-oic acid; 5β-cholan-24-oic acid-3α,6α-Diol; α-Hyodeoxycholic acid; 3α,6α-Dihydroxy-5β-cholanic acid
Molecular Weight392.57
Molecular FormulaC24H40O4
Boiling Point547.1±25.0°C at 760 mmHg
Melting Point200-201°C
Purity>98%
Density1.1±0.1 g/cm3
SolubilitySoluble in DMSO (Slightly), Ethanol (Sparingly), Methanol (Slightly)
AppearanceWhite or Off-white Powder
StorageStore at 2-8°C, protect from light
Percent CompositionC 73.43%, H 10.27%, O 16.30%
Canonical SMILESCC(CCC(=O)O)C1CCC2C1(CCC3C2CC(C4C3(CCC(C4)O)C)O)C
InChIInChI=1S/C24H40O4/c1-14(4-7-22(27)28)17-5-6-18-16-13-21(26)20-12-15(25)8-10-24(20,3)19(16)9-11-23(17,18)2/h14-21,25-26H,4-13H2,1-3H3,(H,27,28)/t14-,15-,16+,17-,18+,19+,20+,21+,23-,24-/m1/s1
InChI KeyDGABKXLVXPYZII-SIBKNCMHSA-N

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