(4alpha,7alpha)-4,7-Bis(Sulfooxy)Cholan-24-Oic Acid
[CAS# 60262-91-1]

Identification

• Name: (4alpha,7alpha)-4,7-Bis(Sulfooxy)Cholan-24-Oic Acid
• Molecular Formula: C₂₄H₄₀O₁₀S₂
• Molecular Weight: 552.70
• CAS Registry Number: 60262-91-1
• SMILES: OS(=O)(=O)O[C@@H]4CCC[C@@]2(C)C4C[C@@H](OS(O)(=O)=O)[C@H]1C3CC[C@H]([C@H](C)CCC(O)=O)[C@@]3(C)CC[C@@H]12
• InChI: 1S/C24H40O10S2/c1-14(6-9-21(25)26)15-7-8-16-22-17(10-12-24(15,16)3)23(2)11-4-5-19(33-35(27,28)29)18(23)13-20(22)34-36(30,31)32/h14-20,22H,4-13H2,1-3H3,(H,25,26)(H,27,28,29)(H,30,31,32)/t14-,15-,16?,17+,18?,19-,20-,22+,23-,24-/m1/s1
• InChIKey: GQMSITHVHIFJDC-FCORDYGQSA-N

Properties

• Density: 1.411g/cm³ (Cal.)