(4aR,12R)-2,3,4,4abeta,5,6,7,10-Octahydro-1,12-Dimethyl-1H-5beta,10bbeta-Propano-1,7-Phenanthrolin-8(9H)-One
[CAS# 596-55-4]

Identification

• Name: (4aR,12R)-2,3,4,4abeta,5,6,7,10-Octahydro-1,12-Dimethyl-1H-5beta,10bbeta-Propano-1,7-Phenanthrolin-8(9H)-One
• Synonyms: Alpha-Obscurine
• Molecular Formula: C₁₇H₂₆N₂O
• Molecular Weight: 274.41
• CAS Registry Number: 596-55-4
• SMILES: [C@]234C1=C(NC(CC1)=O)C[C@@H]([C@H]2CCCN3C)C[C@H](C4)C
• InChI: 1S/C17H26N2O/c1-11-8-12-9-15-14(5-6-16(20)18-15)17(10-11)13(12)4-3-7-19(17)2/h11-13H,3-10H2,1-2H3,(H,18,20)/t11-,12+,13-,17-/m1/s1
• InChIKey: HXJHQEWSHQXRPH-IPJQOSJUSA-N

Properties

• Density: 1.144g/cm³ (Cal.)
• Boiling point: 471.133°C at 760 mmHg (Cal.)
• Flash point: 238.733°C (Cal.)