4,6-Cholestadien-3-One
[CAS# 566-93-8]

Identification

• Name: 4,6-Cholestadien-3-One
• Synonyms: 17-(1,5-Dimethylhexyl)-10,13-Dimethyl-1,2,8,9,11,12,14,15,16,17-Decahydrocyclopenta[A]Phenanthren-3-One; Nsc119073; 4,6-Cholestadien-3-One
• Molecular Formula: C₂₇H₄₂O
• Molecular Weight: 382.63
• CAS Registry Number: 566-93-8
• EINECS: 209-299-4
• SMILES: C(C(C4C3(C(C2C(C1(C(=CC(=O)CC1)C=C2)C)CC3)CC4)C)C)CCC(C)C
• InChI: 1S/C27H42O/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/h9-10,17-19,22-25H,6-8,11-16H2,1-5H3
• InChIKey: XIWMRKFKSRYSIJ-UHFFFAOYSA-N

Properties

• Density: 0.997g/cm³ (Cal.)
• Boiling point: 493.987°C at 760 mmHg (Cal.)
• Flash point: 250.738°C (Cal.)