3beta-(Acetyloxy)-7alpha-Aza-B-Homocholest-5-En-7-One
[CAS# 17398-63-9]

Identification

• Name: 3beta-(Acetyloxy)-7alpha-Aza-B-Homocholest-5-En-7-One
• Synonyms: Benz[D]Indeno[4,5-B]Azepin-5(1H)-One, 1.Beta.-(1,5-Dimethylhexyl)-2,3,3A.Alpha.,3B.Beta.,4,7,8,9,10,10A,10B.Alpha.,11,12,12A-Tetradecahydro-8.Beta.-Hydroxy-10A.Beta.,12A.Beta.-Dimethyl-, Acetate (Ester); Nsc136993
• Molecular Formula: C₂₉H₄₇NO₃
• Molecular Weight: 457.70
• CAS Registry Number: 17398-63-9
• SMILES: C(C(C)C1C3(C)C(CC1)C2NC(=O)C=C4C(C)(C2CC3)CCC(OC(=O)C)C4)CCC(C)C
• InChI: 1S/C29H47NO3/c1-18(2)8-7-9-19(3)23-10-11-24-27-25(13-15-29(23,24)6)28(5)14-12-22(33-20(4)31)16-21(28)17-26(32)30-27/h17-19,22-25,27H,7-16H2,1-6H3,(H,30,32)
• InChIKey: QQGZQWFFDPSFHS-UHFFFAOYSA-N

Properties

• Density: 1.056g/cm³ (Cal.)
• Boiling point: 575.857°C at 760 mmHg (Cal.)
• Flash point: 302.068°C (Cal.)