(5α,6Beta)-3-Ethoxy-17-Methyl-7,8-Didehydro-4,5-Epoxymorphinan-6-Ol

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Properties Simple | Detailed

Formula C19H23NO3
IUPAC Name (3s,4r,4ar,7r,7ar,12bs)-9-ethoxy-3-methyl-2,4,4a,7,7a,13-hexahydro-1h-4,12-methanobenzofuro[3,2-e]isoquinoline-7-ol
Molecular Mass 313.391 g·mol−1
Heat of Formation -347.0 ± 16.7 kJ·mol−1
Dipole Moment 2.81 ± 1.08 D
Volume 368.66 Å 3
Surface Area 296.85 Å 2
HOMO Energy -8.37 ± 0.55 eV
LUMO Energy 0.26 ± eV
Point Group Symmetry C1
Synonyms
  • alpha-isomorphine, ethyl-
  • ethyl-alpha-isomorphine
  • morphinan-6-beta-ol, 7,8-didehydro-4,5-alpha-epoxy-3-ethoxy-17-methyl-
CAS Number(s)
  • 47252-01-7
InChIKey OGDVEMNWJVYAJL-WVVQHKAJSA-N
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