Cholic Acid

CAS	81-25-4
Structure
Synonyms	3,7,12-Trihydroxy-cholan-24-oic acid
IUPAC Name	(4R)-4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-Trihydroxy-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	408.58
Molecular Formula	C24H40O5
Canonical SMILES	CC(CCC(=O)O)C1CCC2C1(C(CC3C2C(CC4C3(CCC(C4)O)C)O)O)C
InChI	InChI=1S/C24H40O5/c1-13(4-7-21(28)29)16-5-6-17-22-18(12-20(27)24(16,17)3)23(2)9-8-15(25)10-14(23)11-19(22)26/h13-20,22,25-27H,4-12H2,1-3H3,(H,28,29)/t13-,14+,15-,16-,17+,18+,19-,20+,22+,23+,24-/m1/s1
InChI Key	BHQCQFFYRZLCQQ-OELDTZBJSA-N
Boiling Point	449.08 °C
Melting Point	200-201 °C(lit.)
Flash Point	9 °C
Purity	98%
Density	1.0310 g/cm³
Refractive Index	1.5800
pKa	4.98(at 20 °C)
Solubility in Water	Sparingly
Appearance	Solid