3,7,12-Trihydroxycholest-24-Enoic Acid
[CAS# 5226-26-6]

Identification

• Name: 3,7,12-Trihydroxycholest-24-Enoic Acid
• Synonyms: 3Alpha,7Alpha,12Alpha-Trihydroxy-5Beta-Cholest-24-En-26-Oic Acid; Lmst04030064; 24-Oh-Thca
• Molecular Formula: C₂₇H₄₄O₅
• Molecular Weight: 448.64
• CAS Registry Number: 5226-26-6
• SMILES: [C@H]23[C@H]1[C@@]([C@H](CC1)[C@@H](CC\C=C(C(=O)O)/C)C)([C@@H](O)C[C@@H]2[C@@]4([C@H](C[C@H]3O)C[C@H](O)CC4)C)C
• InChI: 1S/C27H44O5/c1-15(6-5-7-16(2)25(31)32)19-8-9-20-24-21(14-23(30)27(19,20)4)26(3)11-10-18(28)12-17(26)13-22(24)29/h7,15,17-24,28-30H,5-6,8-14H2,1-4H3,(H,31,32)/b16-7+/t15-,17+,18-,19-,20+,21+,22-,23+,24+,26+,27-/m1/s1
• InChIKey: VXQOOUCCLSSSSV-JUXNRBFSSA-N

Properties

• Density: 1.157g/cm³ (Cal.)
• Boiling point: 616.563°C at 760 mmHg (Cal.)
• Flash point: 340.703°C (Cal.)