N-[(3beta,5beta,7alpha)-3-Hydroxy-24-oxo-7-(sulfooxy)cholan-24-yl]glycine
[CAS# 67030-55-1]

Identification

• Name: N-[(3beta,5beta,7alpha)-3-Hydroxy-24-oxo-7-(sulfooxy)cholan-24-yl]glycine
• Molecular Formula: C₂₆H₄₃NO₈S
• Molecular Weight: 529.69
• CAS Registry Number: 67030-55-1
• SMILES: OC(=O)CNC(=O)CC[C@@H](C)[C@H]3CCC2[C@@H]4[C@@H](C[C@@H]1CC(O)CC[C@]1(C)[C@H]4CC[C@@]23C)OS(O)(=O)=O
• InChI: 1S/C26H43NO8S/c1-15(4-7-22(29)27-14-23(30)31)18-5-6-19-24-20(9-11-26(18,19)3)25(2)10-8-17(28)12-16(25)13-21(24)35-36(32,33)34/h15-21,24,28H,4-14H2,1-3H3,(H,27,29)(H,30,31)(H,32,33,34)/t15-,16+,17?,18-,19?,20+,21-,24+,25+,26-/m1/s1
• InChIKey: GLYPHOJMMLQNJQ-HRTGKELUSA-N

Properties

• Density: 1.314g/cm³ (Cal.)