CAS: 67030-54-0 - N-[(3alpha,5beta,7alpha,8xi,9xi,14xi,17xi)-7-hydroxy-24-oxo-3-(sulfooxy)cholan-24-yl]glycine

Formula: C₂₆H₄₃NO₈S

InChI: 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(35-36(32,33)34)12-16(25)13-21(24)28/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

InChI key: InChIKey=DKXXSIJHWWVNMO-GYPHWSFCSA-N

SMILES: O=C(O)CNC(=O)CCC(C)C1CCC2C3C(O)CC4CC(OS(=O)(=O)O)CCC4(C)C3CCC12C

Glycochenodeoxycholic Acid 3-Sulfate

CAS: 67030-54-0

• Formula: C₂₆H₄₃NO₈S
• Molecular weight: 529.69