CAS: 99794-82-8 - β-D-Glucopyranosiduronic acid, (3α,5β)-24-oxo-24-[(2-sulfoethyl)amino]cholan-3-yl

Formula:C₃₂H₅₃NO₁₁S

InChI: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)

InChI key:InChIKey=YRKZDONPVFEWNN-UHFFFAOYSA-N

SMILES:O=C(O)C1OC(OC2CCC3(C)C(CCC4C5CCC(C(C)CCC(=O)NCCS(=O)(=O)O)C5(C)CCC43)C2)C(O)C(O)C1O

• Synonyms:
• 99794-82-8
• Cholane, β-<span class="text-smallcaps">D</span>-glucopyranosiduronic acid deriv.
• Taurolithocholic acid 3-glucuronide
• β-<span class="text-smallcaps">D</span>-Glucopyranosiduronic acid, (3α,5β)-24-oxo-24-[(2-sulfoethyl)amino]cholan-3-yl
• Cholane, β-D-glucopyranosiduronic acid deriv.
• β-D-Glucopyranosiduronic acid, (3α,5β)-24-oxo-24-[(2-sulfoethyl)amino]cholan-3-yl