(2beta,3alpha,5beta,7alpha)-2,3,7-Trihydroxycholan-24-Oic Acid
[CAS# 133565-87-4]

Identification

• Name: (2beta,3alpha,5beta,7alpha)-2,3,7-Trihydroxycholan-24-Oic Acid
• Synonyms: 2β,3α,7α-Trihydroxy-5β-cholan-24-oic Acid; LMST04010059
• Molecular Formula: C₂₄H₄₀O₅
• Molecular Weight: 408.57
• CAS Registry Number: 133565-87-4
• SMILES: O=C(O)CC[C@H]([C@H]1CC[C@@H]2[C@]1(C)CC[C@H]4[C@H]2[C@H](O)C[C@@H]3C[C@H](O)[C@@H](O)C[C@@]34C)C
• InChI: 1S/C24H40O5/c1-13(4-7-21(28)29)15-5-6-16-22-17(8-9-23(15,16)2)24(3)12-20(27)18(25)10-14(24)11-19(22)26/h13-20,22,25-27H,4-12H2,1-3H3,(H,28,29)/t13-,14+,15-,16+,17+,18+,19-,20+,22+,23-,24+/m1/s1
• InChIKey: NVTDAUYTNRUBQY-QCICEKRZSA-N

Properties

• Density: 1.185g/cm³ (Cal.)
• Boiling point: 565.688°C at 760 mmHg (Cal.)
• Flash point: 309.968°C (Cal.)
• Refractive index: 1.558 (Cal.)