Dehydrocholic acid

About This Item

Molecular Formula	C₂₄H₃₄O₅
CAS Number	81-23-2

FC-0680414

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Properties

Chemical Identifiers

IUPAC Name	(4R)-4-[(5S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-3,7,12-trioxo-1,2,4,5,6,8,9,11,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]pentanoic acid
SMILES	CC(CCC(=O)O)C1CCC2C1(C(=O)CC3C2C(=O)CC4C3(CCC(=O)C4)C)C
InChI Key	OHXPGWPVLFPUSM-KLRNGDHRSA-N
InChI	InChI=1S/C24H34O5/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/h13-14,16-18,22H,4-12H2,1-3H3,(H,28,29)/t13-,14+,16-,17+,18+,22+,23+,24-/m1/s1

Physical Properties

Boiling Point	581.5±50.0 °C at 760 mmHg
Melting Point	237-240
Flash Point	319.5±26.6 °C
Density	1.2±0.1 g/cm3

Safety Information

Hazard Class

Warning

Flash Point

319.5±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.