Isocodeine

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Formula C18H21NO3
IUPAC Name (3s,4r,4ar,7r,7ar,12bs)-9-methoxy-3-methyl-2,4,4a,7,7a,13-hexahydro-1h-4,12-methanobenzofuro[3,2-e]isoquinoline-7-ol
Molecular Mass 299.364 g·mol−1
Heat of Formation -311.6 ± 16.7 kJ·mol−1
Dipole Moment 2.92 ± 1.08 D
Volume 349.38 Å 3
Surface Area 286.33 Å 2
HOMO Energy -8.37 ± 0.55 eV
LUMO Energy 0.23 ± eV
Point Group Symmetry C1
Synonyms
  • (5alpha,6beta)-7,8-didehydro-4,5-epoxy-3-methoxy-17-methylmorphinan-6-ol
  • 3-methoxy-17-methyl-7,8-didehydro-4,5-epoxymorphinan-6-ol
  • morphinan-6-beta-ol, 7,8-didehydro-4,5-alpha-epoxy-3-methoxy-17-methyl-
  • morphinan-6-ol, 7,8-didehydro-4,5-epoxy-3-methoxy-17-methyl-
  • morphinan-6-ol, 7,8-didehydro-4,5-epoxy-3-methoxy-17-methyl-, (5alpha,6beta)- (9ci)
InChIKey OROGSEYTTFOCAN-KEMUOJQUSA-N
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