(7alpha,12alpha)-7,12-Dihydroxy-3-Oxochol-4-En-24-Oic Acid
[CAS# 13587-11-6]

Identification

• Name: (7alpha,12alpha)-7,12-Dihydroxy-3-Oxochol-4-En-24-Oic Acid
• Synonyms: (7α,12α)-7,12-dihydroxy-3-oxochol-4-en-24-oic acid; 7α,12α-dihydroxy-3-oxochol-4-en-24-oic acid; 7α,12α-Dihydroxy-3-oxochol-4-enoate
• Molecular Formula: C₂₄H₃₆O₅
• Molecular Weight: 404.54
• CAS Registry Number: 13587-11-6
• SMILES: O=C4\C=C2/[C@]([C@H]1C[C@H](O)[C@]3([C@H]([C@@H]1[C@H](O)C2)CC[C@@H]3[C@H](C)CCC(=O)O)C)(C)CC4
• InChI: 1S/C24H36O5/c1-13(4-7-21(28)29)16-5-6-17-22-18(12-20(27)24(16,17)3)23(2)9-8-15(25)10-14(23)11-19(22)26/h10,13,16-20,22,26-27H,4-9,11-12H2,1-3H3,(H,28,29)/t13-,16-,17+,18+,19-,20+,22+,23+,24-/m1/s1
• InChIKey: ZZUMXQCSMJCDDC-DFQOQHGMSA-N

Properties

• Density: 1.221g/cm³ (Cal.)
• Boiling point: 604.17°C at 760 mmHg (Cal.)
• Flash point: 333.216°C (Cal.)
• Refractive index: 1.574 (Cal.)