7-Dehydrocholesterol 5,6-Oxide
[CAS# 95841-71-7]

Identification

• Name: 7-Dehydrocholesterol 5,6-Oxide
• Synonyms: 7-Dehydrocholesterol 5,6-Epoxide; 7-Dehydrocholesterol 5,6-Oxide
• Molecular Formula: C₂₇H₄₄O₂
• Molecular Weight: 400.64
• CAS Registry Number: 95841-71-7
• SMILES: [C@@H]1(CC[C@]2([C@@]5(C1)[C@@H](C=C3[C@@H]2CC[C@]4([C@H]3CC[C@@H]4[C@@H](CCCC(C)C)C)C)O5)C)O
• InChI: 1S/C27H44O2/c1-17(2)7-6-8-18(3)21-9-10-22-20-15-24-27(29-24)16-19(28)11-14-26(27,5)23(20)12-13-25(21,22)4/h15,17-19,21-24,28H,6-14,16H2,1-5H3/t18-,19+,21-,22+,23+,24-,25-,26-,27-/m1/s1
• InChIKey: HQJPDAPYXZGRSF-RMXJHBPESA-N

Properties

• Density: 1.057g/cm³ (Cal.)
• Boiling point: 506.122°C at 760 mmHg (Cal.)
• Flash point: 208.043°C (Cal.)