(1R,3aR,10bR,12aS)-1-Ethynyl-8-Methoxy-12A-Methyl-1,2,3,3A,5,6,10B,11,12,12A-Decahydrocyclopenta[5,6]Pyrido[2,1-a]Isoquinolin-1-Ol
[CAS# 5941-36-6]

Identification

• Name: (1R,3aR,10bR,12aS)-1-Ethynyl-8-Methoxy-12A-Methyl-1,2,3,3A,5,6,10B,11,12,12A-Decahydrocyclopenta[5,6]Pyrido[2,1-a]Isoquinolin-1-Ol
• Molecular Formula: C₂₀H₂₅NO₂
• Molecular Weight: 311.42
• CAS Registry Number: 5941-36-6
• SMILES: C[C@]12CC[C@@H]3C4=C(CCN3[C@@H]1CC[C@]2(C#C)O)C=C(C=C4)OC
• InChI: 1S/C20H25NO2/c1-4-20(22)11-8-18-19(20,2)10-7-17-16-6-5-15(23-3)13-14(16)9-12-21(17)18/h1,5-6,13,17-18,22H,7-12H2,2-3H3/t17-,18-,19+,20+/m1/s1
• InChIKey: NTHOJXSFNBUDMY-ZRNYENFQSA-N

Properties

• Density: 1.2±0.1g/cm³ (Cal.)
• Boiling point: 449.8±45.0°C at 760 mmHg (Cal.)
• Flash point: 225.8±28.7°C (Cal.)