Hyodeoxycholic Acid

Catalog	BBC83498
CAS	83-49-8
Structure
Synonyms	Hyodeoxycholic
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
Molecular Weight	392.58
Molecular Formula	C24H40O4
Canonical SMILES	CC(CCC(=O)O)C1CCC2C1(CCC3C2CC(C4C3(CCC(C4)O)C)O)C
InChI	InChI=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 Key	DGABKXLVXPYZII-SIBKNCMHSA-N
Boiling Point	437.26 °C
Melting Point	200-201 °C(lit.)
Flash Point	253 °C
Purity	98%
Density	0.9985 g/cm³
Solubility	Slightly soluble in alcohol, acetone, ether, very, slightly soluble in chloroform
Appearance	White to off-white solid
Storage	Refrigerator
pKa	4.76±0.10(Predicted)
Refractive Index	1.4460
Solubility in Water	Insoluble