7',10,11-Trimethoxy-1',5'-Didehydro-5',6'-Dihydroemetan-6'-One

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Formula C28H36N2O4
IUPAC Name 1-[[(2r,3r,5r,11bs)-3-ethyl-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1h-benzo[a]quinolizin-2-yl]methyl]-7-methoxy-3,4-dihydro-2h-isoquinolin-6-one
Molecular Mass 464.596 g·mol−1
Heat of Formation -470.7 ± 16.7 kJ·mol−1
Dipole Moment 10.09 ± 1.08 D
Volume 575.17 Å 3
Surface Area 433.25 Å 2
HOMO Energy -7.92 ± 0.55 eV
LUMO Energy -1.06 ± eV
Point Group Symmetry C1
Synonyms
  • 1',15-didehydro-7',10,11-trimethoxyemetan-6'-ol
  • 1',2'-didehydro-7',10,11-trimethoxyemetan-6'-ol
  • 1-[[(2r,3r,11bs)-3-ethyl-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1h-pyrido[2,1-a]isoquinolin-2-yl]methyl]-7-methoxy-3,4-dihydro-2h-isoquinolin-6-one
  • psychotrine
CAS Number(s)
  • 7633-29-6
InChIKey CLNILJPYOXIKRO-REIDKSKDSA-N
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