(3beta,5alpha)-3,5-Cyclocholestan-6-One
[CAS# 3839-09-6]

Identification

• Name: (3beta,5alpha)-3,5-Cyclocholestan-6-One
• Synonyms: Nsc134929; 3.Alpha.,5-Cyclo-5.Alpha.-Cholestan-6-One
• Molecular Formula: C₂₇H₄₄O
• Molecular Weight: 384.64
• CAS Registry Number: 3839-09-6
• SMILES: C(C(C5C4(C(C3C(C1(C2(C(CC1)C2)C(C3)=O)C)CC4)CC5)C)C)CCC(C)C
• InChI: 1S/C27H44O/c1-17(2)7-6-8-18(3)21-9-10-22-20-15-24(28)27-16-19(27)11-14-26(27,5)23(20)12-13-25(21,22)4/h17-23H,6-16H2,1-5H3
• InChIKey: PAFPYXSFFACISZ-UHFFFAOYSA-N

Properties

• Density: 1.014g/cm³ (Cal.)
• Boiling point: 450.525°C at 760 mmHg (Cal.)
• Flash point: 217.878°C (Cal.)