Chenodeoxycholic acid

About This Item

Molecular Formula	C₂₄H₄₀O₄
CAS Number	474-25-9

FC-0595428

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Properties

Chemical Identifiers

IUPAC Name	(4R)-4-[(3R,5S,7R,8R,9S,10S,13R,14S,17R)-3,7-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
SMILES	C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C
InChI Key	RUDATBOHQWOJDD-BSWAIDMHSA-N
InChI	InChI=1S/C24H40O4/c1-14(4-7-21(27)28)17-5-6-18-22-19(9-11-24(17,18)3)23(2)10-8-16(25)12-15(23)13-20(22)26/h14-20,22,25-26H,4-13H2,1-3H3,(H,27,28)/t14-,15+,16-,17-,18+,19+,20-,22+,23+,24-/m1/s1

Physical Properties

Boiling Point	547.1±25.0 °C at 760 mmHg
Melting Point	165 - 167 °C
Flash Point	298.8±19.7 °C
Density	1.1±0.1 g/cm3

Safety Information

Hazard Class

Warning

Flash Point

298.8±19.7 °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.