Glycocholic acid

About This Item

Molecular Formula	C₂₆H₄₃NO₆
CAS Number	475-31-0

FC-0570568

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Properties

Chemical Identifiers

IUPAC Name	2-[[(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]pentanoyl]amino]acetic acid
SMILES	CC(CCC(=O)NCC(=O)O)C1CCC2C1(C(CC3C2C(CC4C3(CCC(C4)O)C)O)O)C
InChI Key	RFDAIACWWDREDC-FRVQLJSFSA-N
InChI	InChI=1S/C26H43NO6/c1-14(4-7-22(31)27-13-23(32)33)17-5-6-18-24-19(12-21(30)26(17,18)3)25(2)9-8-16(28)10-15(25)11-20(24)29/h14-21,24,28-30H,4-13H2,1-3H3,(H,27,31)(H,32,33)/t14-,15+,16-,17-,18+,19+,20-,21+,24+,25+,26-/m1/s1

Physical Properties

Boiling Point	655.3±65.0 °C at 760 mmHg
Melting Point	166.5 °C
Flash Point	350.1±34.3 °C
Density	1.4±0.1 g/cm3

Safety Information

Hazard Class

Warning

Flash Point

350.1±34.3 °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.