(3A,5B)-24-Oxo-24-[(2-Sulfoethyl)Amino]Cholan-3-Yl B-D-Glucopyranosiduronic Acid
[CAS# 99794-82-8]

Identification

• Name: (3A,5B)-24-Oxo-24-[(2-Sulfoethyl)Amino]Cholan-3-Yl B-D-Glucopyranosiduronic Acid
• Molecular Formula: C₃₂H₅₁NO₁₁S
• Molecular Weight: 657.81
• CAS Registry Number: 99794-82-8
• SMILES: [O-]S(=O)(=O)CCNC(=O)CCC(C)C2CCC3C4CCC1CC(CCC1(C)C4CCC23C)OC5OC(C(O)C(O)C5O)C([O-])=O
• InChI: 1S/C32H53NO11S/c1-17(4-9-24(34)33-14-15-45(40,41)42)21-7-8-22-20-6-5-18-16-19(10-12-31(18,2)23(20)11-13-32(21,22)3)43-30-27(37)25(35)26(36)28(44-30)29(38)39/h17-23,25-28,30,35-37H,4-16H2,1-3H3,(H,33,34)(H,38,39)(H,40,41,42)/p-2
• InChIKey: YRKZDONPVFEWNN-UHFFFAOYSA-L