(3alpha,5beta,7alpha,8xi)-3,24-Dihydroxy-24-Oxocholan-7-Yl Sulfate
[CAS# 59132-31-9]

Identification

• Name: (3alpha,5beta,7alpha,8xi)-3,24-Dihydroxy-24-Oxocholan-7-Yl Sulfate
• Synonyms: Chenodeoxycholic acid sulfate
• Molecular Formula: C₂₄H₃₉O₇S
• Molecular Weight: 471.63
• CAS Registry Number: 59132-31-9
• SMILES: [O-]S(=O)(=O)O[C@@H]3C[C@@H]1C[C@H](O)CC[C@]1(C)[C@H]4CC[C@]2(C)[C@H](CC[C@H]2[C@H]34)[C@H](C)CCC(O)=O
• InChI: 1S/C24H40O7S/c1-14(4-7-21(26)27)17-5-6-18-22-19(9-11-24(17,18)3)23(2)10-8-16(25)12-15(23)13-20(22)31-32(28,29)30/h14-20,22,25H,4-13H2,1-3H3,(H,26,27)(H,28,29,30)/p-1/t14-,15+,16-,17-,18+,19+,20-,22+,23+,24-/m1/s1
• InChIKey: DPVCTIYTPXYDMQ-BSWAIDMHSA-M