(1S,3aS,3bS,5aR,9aR,9bS,11aS)-1-Acetyl-6,9a,11a-Trimethyl-2,3,3a,3b,4,5,5a,8,9,9B,10,11-Dodecahydro-1H-Indeno[5,4-f]Quinolin-7-One
[CAS# 73671-90-6]

Identification

• Name: (1S,3aS,3bS,5aR,9aR,9bS,11aS)-1-Acetyl-6,9a,11a-Trimethyl-2,3,3a,3b,4,5,5a,8,9,9B,10,11-Dodecahydro-1H-Indeno[5,4-f]Quinolin-7-One
• Synonyms: (1S,3As,3Bs,5Ar,9Ar,9Bs,11As)-1-Ethanoyl-6,9A,11A-Trimethyl-2,3,3A,3B,4,5,5A,8,9,9B,10,11-Dodecahydro-1H-Indeno[5,4-F]Quinolin-7-One; 4-Aza-4-Methyl-5Alpha-Pregnane-3,20-Dione; 4-Aza-4-Methylpregnane-3,20-Dione
• Molecular Formula: C₂₁H₃₃NO₂
• Molecular Weight: 331.50
• CAS Registry Number: 73671-90-6
• SMILES: [C@@]12(CCC(N([C@@H]1CC[C@@H]3[C@@H]2CC[C@@]4([C@H](CC[C@@H]34)C(=O)C)C)C)=O)C
• InChI: 1S/C21H33NO2/c1-13(23)15-6-7-16-14-5-8-18-21(3,12-10-19(24)22(18)4)17(14)9-11-20(15,16)2/h14-18H,5-12H2,1-4H3/t14-,15+,16-,17-,18+,20+,21+/m0/s1
• InChIKey: WGPZAVZHAGYUOL-UBYIZVQESA-N

Properties

• Density: 1.059g/cm³ (Cal.)
• Boiling point: 462.448°C at 760 mmHg (Cal.)
• Flash point: 186.329°C (Cal.)