(2S,3S,11bS)-3-Isobutyl-9,10-Dimethoxy-1,3,4,6,7,11B-Hexahydro-2H-Pyrido[2,1-a]Isoquinolin-2-Ol
[CAS# 164104-49-8]

Identification

• Name: (2S,3S,11bS)-3-Isobutyl-9,10-Dimethoxy-1,3,4,6,7,11B-Hexahydro-2H-Pyrido[2,1-a]Isoquinolin-2-Ol
• Synonyms: "[2R-(2a,3b,11bb)]-1,3,4,6,7,11b- Hexahydro -9,10-dimethoxy-3-(2- methylpropyl) -2H-benzo [a] quinolizin -2-ol "; (2S,3S,11bS)-3-Isobutyl-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-pyrido[2,1-a]isoquinolin-2-ol
• Molecular Formula: C₁₉H₂₉NO₃
• Molecular Weight: 319.44
• CAS Registry Number: 164104-49-8
• SMILES: CC(C)C[C@H]1CN2CCC3=CC(=C(C=C3[C@@H]2C[C@@H]1O)OC)OC
• InChI: 1S/C19H29NO3/c1-12(2)7-14-11-20-6-5-13-8-18(22-3)19(23-4)9-15(13)16(20)10-17(14)21/h8-9,12,14,16-17,21H,5-7,10-11H2,1-4H3/t14-,16-,17-/m0/s1
• InChIKey: WEQLWGNDNRARGE-XIRDDKMYSA-N

Properties

• Density: 1.1±0.1g/cm³ (Cal.)
• Boiling point: 457.8±45.0°C at 760 mmHg (Cal.)
• Flash point: 230.7±28.7°C (Cal.)
• Refractive index: 1.562 (Cal.)