Sodium deoxycholate

About This Item

Molecular Formula	C₂₄H₃₉NaO₄
CAS Number	302-95-4

FC-0320623

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Properties

Chemical Identifiers

IUPAC Name	sodium;(4R)-4-[(3R,5R,8R,9S,10S,12S,13R,14S,17R)-3,12-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]pentanoate
SMILES	CC(CCC(=O)[O-])C1CCC2C1(C(CC3C2CCC4C3(CCC(C4)O)C)O)C.[Na+]
InChI Key	FHHPUSMSKHSNKW-SMOYURAASA-M
InChI	InChI=1S/C24H40O4.Na/c1-14(4-9-22(27)28)18-7-8-19-17-6-5-15-12-16(25)10-11-23(15,2)20(17)13-21(26)24(18,19)3;/h14-21,25-26H,4-13H2,1-3H3,(H,27,28);/q;+1/p-1/t14-,15-,16-,17+,18-,19+,20+,21+,23+,24-;/m1./s1

Physical Properties

Boiling Point	547.1ºC at 760 mmHg
Melting Point	357-365 °C
Density	1.128g/cm3

Safety Information

Hazard Class

Warning

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.