(3alpha,5beta,7alpha,12alpha)-3,12-Dihydroxy-7-(Sulfooxy)Cholan-24-Oic Acid
[CAS# 60320-05-0]

Identification

• Name: (3alpha,5beta,7alpha,12alpha)-3,12-Dihydroxy-7-(Sulfooxy)Cholan-24-Oic Acid
• Synonyms: (3α,5β,7α,12α)-3,7,12-Trihydroxycholan-24-oic acid, 7-sulfate; AIDS019580; AIDS-019580
• Molecular Formula: C₂₄H₄₀O₈S
• Molecular Weight: 488.63
• CAS Registry Number: 60320-05-0
• SMILES: O=S(=O)(O)O[C@H]2[C@@H]3[C@@H]([C@@]1([C@@H](C[C@H](O)CC1)C2)C)C[C@H](O)[C@]4([C@H]3CC[C@@H]4[C@H](C)CCC(=O)O)C
• InChI: 1S/C24H40O8S/c1-13(4-7-21(27)28)16-5-6-17-22-18(12-20(26)24(16,17)3)23(2)9-8-15(25)10-14(23)11-19(22)32-33(29,30)31/h13-20,22,25-26H,4-12H2,1-3H3,(H,27,28)(H,29,30,31)/t13-,14+,15-,16-,17+,18+,19-,20+,22+,23+,24-/m1/s1
• InChIKey: RRVLNNMINXAIKC-OELDTZBJSA-N

Properties

• Density: 1.34g/cm³ (Cal.)