68753-51-5

Basic information

• Product Name: 2-oxo-2-[[(3R,7S,10S,12S,13R,17R)-3,7,12-trihydroxy-10,13-dimethyl-17-[(2R)-pentan-2-yl]-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl]amino]acetic acid
• Synonyms: 2-oxo-2-[[(3R,7S,10S,12S,13R,17R)-3,7,12-trihydroxy-10,13-dimethyl-17-[(2R)-pentan-2-yl]-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl]amino]acetic acid;3a,7b,12a-Trihydroxyoxocholanyl-Glycine
• CAS NO: 68753-51-5
• Molecular Formula: C₂₆H₄₃NO₆
• Molecular Weight: 465.62
• Mol File: 68753-51-5.mol
• Article Data: 1

Chemical Properties

• Boiling Point: 640.3°C at 760 mmHg
• Flash Point: 341°C
• Appearance: /
• Density: 1.24g/cm³
• Vapor Pressure: 4.31E-19mmHg at 25°C
• Refractive Index: 1.576
• CAS DataBase Reference: 2-oxo-2-[[(3R,7S,10S,12S,13R,17R)-3,7,12-trihydroxy-10,13-dimethyl-17-[(2R)-pentan-2-yl]-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl]amino]acetic acid(CAS DataBase Reference)
• NIST Chemistry Reference: 2-oxo-2-[[(3R,7S,10S,12S,13R,17R)-3,7,12-trihydroxy-10,13-dimethyl-17-[(2R)-pentan-2-yl]-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl]amino]acetic acid(68753-51-5)
• EPA Substance Registry System: 2-oxo-2-[[(3R,7S,10S,12S,13R,17R)-3,7,12-trihydroxy-10,13-dimethyl-17-[(2R)-pentan-2-yl]-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl]amino]acetic acid(68753-51-5)

Safety Data

• Hazardous Substances Data: 68753-51-5(Hazardous Substances Data)

Usage

InChI:InChI=1/C26H43NO6/c1-5-6-15(2)18-9-10-19-17-8-7-16-13-25(31,32)22(30)26(33,27-14-21(28)29)24(16,4)20(17)11-12-23(18,19)3/h15-20,27,31-33H,5-14H2,1-4H3,(H,28,29)/t15-,16?,17+,18-,19+,20+,23-,24+,26?/m1/s1

Relevant articles and documents

An improved procedure for the synthesis of glycine and taurine conjugates of bile acids

Glycine and taurine conjugates of 5β cholanic acids have been synthesized using improved procedures based on the peptide coupling reagent, N-ethoxycarbonyl-2-ethoxy-1,2-dihydroquinoline. The conjugates are obtained in chromatographically pure form in yields higher than 90%. The use of this procedure in the large scale preparation of choly[1,2 13C2]glycine is described.