(5α,6α)-3,6-Dimethoxy-17-Methyl-7,8-Didehydro-4,5-Epoxymorphinan

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Properties Simple | Detailed

Formula C19H23NO3
IUPAC Name (4r,4ar,7s,7ar,12bs)-7,9-dimethoxy-3-methyl-2,4,4a,7,7a,13-hexahydro-1h-4,12-methanobenzofuro[3,2-e]isoquinoline
Molecular Mass 313.391 g·mol−1
Heat of Formation -254.4 ± 16.7 kJ·mol−1
Dipole Moment 2.29 ± 1.08 D
Volume 373.04 Å 3
Surface Area 310.76 Å 2
HOMO Energy -8.05 ± 0.55 eV
LUMO Energy 0.44 ± eV
Point Group Symmetry C1
Synonyms
  • (5alpha,6alpha)-7,8-didehydro-4,5-epoxy-3,6-dimethoxy-17-methylmorphinan
  • codeine methyl ether
  • morphinan, 7,8-didehydro-3,6-alpha-dimethoxy-4,5-alpha-epoxy-17-methyl-
  • o(6)-codeine methyl ether
CAS Number(s)
  • 2859-16-7
InChIKey HGPQAWTZLJXCTC-SSTWWWIQSA-N
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