3-Aza-alpha-Homo-5alpha-Cholestan-4-One
[CAS# 20283-99-2]

Identification

• Name: 3-Aza-alpha-Homo-5alpha-Cholestan-4-One
• Synonyms: Cyclopenta[5,6]Naphth[1,2-D]Azepin-2(1H)-One, 8.Beta.-(1,5-Dimethylhexyl)-3,4,5,5A,5B.Alpha.,6,7,7A,8,9,10,10A.Alpha.,10B.Beta.,11,12,12A.Alpha.-Hexadecahydro-5A.Beta.,7A.Beta.-Dimethyl-; Nsc409180
• Molecular Formula: C₂₇H₄₇NO
• Molecular Weight: 401.67
• CAS Registry Number: 20283-99-2
• SMILES: C(C(C4C3(C(C1C(C2(C(CC1)CC(=O)NCC2)C)CC3)CC4)C)C)CCC(C)C
• InChI: 1S/C27H47NO/c1-18(2)7-6-8-19(3)22-11-12-23-21-10-9-20-17-25(29)28-16-15-26(20,4)24(21)13-14-27(22,23)5/h18-24H,6-17H2,1-5H3,(H,28,29)
• InChIKey: QJSFAHRXRVJDII-UHFFFAOYSA-N

Properties

• Density: 0.958g/cm³ (Cal.)
• Boiling point: 520.154°C at 760 mmHg (Cal.)
• Flash point: 324.094°C (Cal.)