1alpha,4alpha-Epoxy-20-Methyl-3-Aza-alpha-Homo-5beta-Pregn-14-En-16-One
[CAS# 6400-81-3]

Identification

• Name: 1alpha,4alpha-Epoxy-20-Methyl-3-Aza-alpha-Homo-5beta-Pregn-14-En-16-One
• Synonyms: Samandarine, 14,15-Didehydro-16-Deoxy-17-Beta-Isopropyl-16-Oxo-; Samandenon; Samandenone
• Molecular Formula: C₂₂H₃₃NO₂
• Molecular Weight: 343.51
• CAS Registry Number: 6400-81-3
• SMILES: [C@@]15(C(=CC(=O)[C@@H]1C(C)C)[C@H]3[C@@H]([C@]2([C@H]4O[C@@H](C[C@H]2CC3)NC4)C)CC5)C
• InChI: 1S/C22H33NO2/c1-12(2)20-17(24)10-16-14-6-5-13-9-19-23-11-18(25-19)22(13,4)15(14)7-8-21(16,20)3/h10,12-15,18-20,23H,5-9,11H2,1-4H3/t13-,14-,15+,18+,19+,20+,21+,22+/m1/s1
• InChIKey: YVWOGPJZTKNLJO-BYXPGVIDSA-N

Properties

• Density: 1.127g/cm³ (Cal.)
• Boiling point: 470.931°C at 760 mmHg (Cal.)
• Flash point: 238.611°C (Cal.)