[(2R,3R,11Bs)-3-Ethyl-9,10-Dimethoxy-1,3,4,6,7,11B-Hexahydro-2H-Pyrido[2,1-A]Isoquinolin-2-Yl]Acetaldehyde

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Properties Simple | Detailed

Formula C19H27NO3
IUPAC Name 2-[(2r,3r,5r,11bs)-3-ethyl-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1h-benzo[a]quinolizin-2-yl]acetaldehyde
Molecular Mass 317.423 g·mol−1
Heat of Formation -430.2 ± 16.7 kJ·mol−1
Dipole Moment 4.05 ± 1.08 D
Volume 401.19 Å 3
Surface Area 350.09 Å 2
HOMO Energy -8.82 ± 0.55 eV
LUMO Energy 0.10 ± eV
Point Group Symmetry C1
Synonyms
  • 2-[(2r,3r,11bs)-3-ethyl-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1h-pyrido[2,1-a]isoquinolin-2-yl]acetaldehyde
  • 2-[(2r,3r,11bs)-3-ethyl-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1h-pyrido[2,1-a]isoquinolin-2-yl]ethanal
  • protoemetine
InChIKey BBVFHYCHEWCGBH-ZQIUZPCESA-N
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