(20S)-3beta-(Dimethylamino)-4,4,14-Trimethyl-20-(Methylamino)-beta(9a)-Homo-19-Nor-5alpha-Pregna-9(11),9alpha-Dien-16alpha-Ol
[CAS# 58672-77-8]

Identification

• Name: (20S)-3beta-(Dimethylamino)-4,4,14-Trimethyl-20-(Methylamino)-beta(9a)-Homo-19-Nor-5alpha-Pregna-9(11),9alpha-Dien-16alpha-Ol
• Synonyms: Buxaminol B
• Molecular Formula: C₂₇H₄₆N₂O
• Molecular Weight: 414.67
• CAS Registry Number: 58672-77-8
• SMILES: [C@@]12([C@@]([C@@H]([C@@H](NC)C)[C@@H](C1)O)(CC=C4C2CC[C@H]3C([C@@H](N(C)C)CCC3=C4)(C)C)C)C
• InChI: 1S/C27H46N2O/c1-17(28-6)24-22(30)16-27(5)21-11-10-20-18(15-19(21)13-14-26(24,27)4)9-12-23(29(7)8)25(20,2)3/h13,15,17,20-24,28,30H,9-12,14,16H2,1-8H3/t17-,20+,21?,22+,23-,24-,26+,27-/m0/s1
• InChIKey: GTXYASOPMHQGPE-JTDYHNPVSA-N

Properties

• Density: 1.041g/cm³ (Cal.)
• Boiling point: 522.128°C at 760 mmHg (Cal.)
• Flash point: 269.574°C (Cal.)