5-Bromo-6beta,19-Epoxy-5alpha-Cholestan-3beta-Ol Acetate
[CAS# 1258-07-7]

Identification

• Name: 5-Bromo-6beta,19-Epoxy-5alpha-Cholestan-3beta-Ol Acetate
• Synonyms: 5Alpha-Bromo-6,19-Epoxycholestan-3Beta-Ol Acetate
• Molecular Formula: C₂₉H₄₇BrO₃
• Molecular Weight: 523.59
• CAS Registry Number: 1258-07-7
• SMILES: [C@]12(Br)C[C@@H](OC(=O)C)CC[C@@]14CO[C@@H]2C[C@H]5[C@@H]3CC[C@@H]([C@@]3(C)CC[C@H]45)[C@@H](CCCC(C)C)C
• InChI: 1S/C29H47BrO3/c1-18(2)7-6-8-19(3)23-9-10-24-22-15-26-29(30)16-21(33-20(4)31)11-14-28(29,17-32-26)25(22)12-13-27(23,24)5/h18-19,21-26H,6-17H2,1-5H3/t19-,21+,22+,23-,24+,25+,26-,27-,28+,29+/m1/s1
• InChIKey: YEACHZHDRMYMDK-FMSSLCCRSA-N

Properties

• Density: 1.197g/cm³ (Cal.)
• Boiling point: 546.732°C at 760 mmHg (Cal.)
• Flash point: 284.453°C (Cal.)