(3alpha,5beta,7beta,8xi)-3,7-Bis(sulfooxy)cholan-24-oic acid
[CAS# 88426-32-8]

Identification

• Name: (3alpha,5beta,7beta,8xi)-3,7-Bis(sulfooxy)cholan-24-oic acid
• Synonyms: Ursulcholic acid
• Molecular Formula: C₂₄H₄₀O₁₀S₂
• Molecular Weight: 552.70
• CAS Registry Number: 88426-32-8
• SMILES: C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@H](C[C@H]4[C@@]3(CC[C@H](C4)OS(=O)(=O)O)C)OS(=O)(=O)O)C
• InChI: 1S/C24H40O10S2/c1-14(4-7-21(25)26)17-5-6-18-22-19(9-11-24(17,18)3)23(2)10-8-16(33-35(27,28)29)12-15(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: BWXSDJHAJWTEAD-UZVSRGJWSA-N

Properties

• Density: 1.4±0.1g/cm³ (Cal.)