(2alpha,5alpha,8xi,9xi,10xi,13xi,14xi,17xi,20xi)-2-Bromo-5-Methylcholestan-3-One
[CAS# 2102-31-0]

Identification

• Name: (2alpha,5alpha,8xi,9xi,10xi,13xi,14xi,17xi,20xi)-2-Bromo-5-Methylcholestan-3-One
• Synonyms: 2-bromo-17-(1,5-dimethylhexyl)-5,10,13-trimethylperhydrocyclopenta[a]phenanthren-3-one
• Molecular Formula: C₂₈H₄₇BrO
• Molecular Weight: 479.58
• CAS Registry Number: 2102-31-0
• SMILES: O=C4C[C@@]3(CCC1C(CCC2(C)C1CCC2C(C)CCCC(C)C)C3(C)C[C@H]4Br)C
• InChI: 1S/C28H47BrO/c1-18(2)8-7-9-19(3)21-10-11-22-20-12-14-26(4)17-25(30)24(29)16-28(26,6)23(20)13-15-27(21,22)5/h18-24H,7-17H2,1-6H3/t19?,20?,21?,22?,23?,24-,26+,27?,28?/m1/s1
• InChIKey: VJESLMVYXPLTHU-DVBNXJOBSA-N

Properties

• Density: 1.103g/cm³ (Cal.)
• Boiling point: 503.042°C at 760 mmHg (Cal.)
• Flash point: -152.577°C (Cal.)
• Refractive index: 1.516 (Cal.)