O-Methylpsychotrine

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Properties Simple | Detailed

Formula C29H38N2O4
IUPAC Name (2r,3r,5r,11bs)-3-ethyl-2-(3,4,6,7-tetrahydroisoquinoline-6,7-diid-1-ylmethyl)-2,3,4,6,7,9,10,11b-octahydro-1h-benzo[a]quinolizine-9,10-diide; methanone
Molecular Mass 478.623 g·mol−1
Heat of Formation -455.1 ± 16.7 kJ·mol−1
Dipole Moment 2.80 ± 1.08 D
Volume 593.01 Å 3
Surface Area 503.25 Å 2
HOMO Energy -7.98 ± 0.55 eV
LUMO Energy 2.80 ± eV
Point Group Symmetry C1
Synonyms
  • (2r,3r,11bs)-2-[(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)methyl]-3-ethyl-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1h-pyrido[2,1-a]isoquinoline
  • 1',2'-dehydroemetin
  • 2h-benzo[a]quinolizine, 2-[(3,4-dihydro-6,7-dimethoxy-1-isoquinolinyl)methyl]-3-ethyl-1,3,4,6,7,11b-hexahydro-9,10-dimethoxy-, (2r,3r,11bs)-
  • emetan, 1',2'-didehydro-6',7',10,11-tetramethoxy-
  • methylpsychotrin
  • methylpsychotrine
  • psychotrine, o-methyl- (6ci,7ci)
CAS Number(s)
  • 523-01-3
InChIKey FBRKYRSUSJWLHH-HMHJJOSWSA-N
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