METHYL CHENODEOXYCHOLATE

About This Item

Molecular Formula	C₂₅H₄₂O₄
CAS Number	3057-04-3

FC-0661065

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Properties

Chemical Identifiers

IUPAC Name	methyl (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]pentanoate
SMILES	CC(CCC(=O)OC)C1CCC2C1(CCC3C2C(CC4C3(CCC(C4)O)C)O)C
InChI Key	GRQROVWZGGDYSW-IFJDUOSNSA-N
InChI	InChI=1S/C25H42O4/c1-15(5-8-22(28)29-4)18-6-7-19-23-20(10-12-25(18,19)3)24(2)11-9-17(26)13-16(24)14-21(23)27/h15-21,23,26-27H,5-14H2,1-4H3/t15-,16+,17?,18-,19+,20+,21-,23+,24+,25-/m1/s1

Physical Properties

Boiling Point	507.6±25.0 °C at 760 mmHg
Flash Point	162.1±16.7 °C
Density	1.1±0.1 g/cm3

Safety Information

Flash Point

162.1±16.7 °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.