Cholic acid

About This Item

Molecular Formula	C₂₄H₄₀O₅
CAS Number	81-25-4

FC-0834438

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Properties

Chemical Identifiers

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
SMILES	C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C
InChI Key	BHQCQFFYRZLCQQ-OELDTZBJSA-N
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

Physical Properties

Boiling Point	583.9±50.0 °C at 760 mmHg
Melting Point	198 °C
Flash Point	321.0±26.6 °C
Density	1.2±0.1 g/cm3

Safety Information

Hazard Class

Warning

Flash Point

321.0±26.6 °C

Please refer to the Safety Data Sheet (SDS) for complete handling, storage, and disposal instructions. Follow all applicable regulations when working with this chemical reagent.