(3alpha,5beta,7alpha)-7-Hydroxy-3-(sulfooxy)cholan-24-oic acid
[CAS# 68780-73-4]

Identification

• Name: (3alpha,5beta,7alpha)-7-Hydroxy-3-(sulfooxy)cholan-24-oic acid
• Molecular Formula: C₂₄H₄₀O₇S
• Molecular Weight: 472.64
• CAS Registry Number: 68780-73-4
• SMILES: OS(=O)(=O)O[C@H]2C[C@H]3C[C@@H](O)[C@H]1[C@@H]4CC[C@H]([C@H](C)CCC(O)=O)[C@@]4(C)CC[C@@H]1[C@@]3(C)CC2
• 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(31-32(28,29)30)12-15(23)13-20(22)25/h14-20,22,25H,4-13H2,1-3H3,(H,26,27)(H,28,29,30)/t14-,15+,16-,17-,18+,19+,20-,22+,23+,24-/m1/s1
• InChIKey: WHMOBEGYTDWMIG-BSWAIDMHSA-N

Properties

• Density: 1.288g/cm³ (Cal.)