3-Aza-alpha-Homocholest-4alpha-En-4-One
[CAS# 10062-39-2]

Identification

• Name: 3-Aza-alpha-Homocholest-4alpha-En-4-One
• Synonyms: Cyclopenta[5,6]Naphth[1,2-D]Azepin-2(3H)-One, 8.Beta.-(1,5-Dimethylhexyl)-4,5,5A,5B.Alpha.,6,7,7A,8,9,10,10A.Alpha.,10B.Beta.,11,12-Tetradecahydro-5A.Beta.,7A.Beta.-Dimethyl-; Nsc61704; C15251
• Molecular Formula: C₂₇H₄₅NO
• Molecular Weight: 399.66
• CAS Registry Number: 10062-39-2
• SMILES: [C@H](CCCC(C)C)(C)[C@H]1CC[C@@H]3[C@]1(C)CC[C@@H]4[C@]2(C)C(=CC(=O)NCC2)CC[C@@H]34
• InChI: 1S/C27H45NO/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/h17-19,21-24H,6-16H2,1-5H3,(H,28,29)/t19-,21+,22-,23+,24+,26+,27-/m1/s1
• InChIKey: FKEMOURCBNXSDQ-HZPUXBNGSA-N

Properties

• Density: 1.005g/cm³ (Cal.)
• Boiling point: 533.986°C at 760 mmHg (Cal.)
• Flash point: 331.386°C (Cal.)