5-Cholesten-3-One
[CAS# 601-54-7]

Identification

• Name: 5-Cholesten-3-One
• Synonyms: 17-(1,5-Dimethylhexyl)-10,13-Dimethyl-1,2,4,7,8,9,11,12,14,15,16,17-Dodecahydrocyclopenta[A]Phenanthren-3-One; .Delta.(Sup5)-Cholestenone; Nsc118979
• Molecular Formula: C₂₇H₄₄O
• Molecular Weight: 384.64
• CAS Registry Number: 601-54-7
• EINECS: 210-004-6
• SMILES: C(C(C4C3(C(C1C(C2(C(=CC1)CC(=O)CC2)C)CC3)CC4)C)C)CCC(C)C
• InChI: 1S/C27H44O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h9,18-19,22-25H,6-8,10-17H2,1-5H3
• InChIKey: GGCLNOIGPMGLDB-UHFFFAOYSA-N

Properties

• Density: 0.985g/cm³ (Cal.)
• Boiling point: 477.368°C at 760 mmHg (Cal.)
• Flash point: 200.455°C (Cal.)