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

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Properties Simple | Detailed

Formula C18H19NO3
IUPAC Name (3s,4r,4ar,7ar,12bs)-9-methoxy-3-methyl-1,2,4,4a,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinoline-7-one
Molecular Mass 297.348 g·mol−1
Heat of Formation -241.8 ± 16.7 kJ·mol−1
Dipole Moment 4.43 ± 1.08 D
Volume 341.98 Å 3
Surface Area 282.75 Å 2
HOMO Energy -8.49 ± 0.55 eV
LUMO Energy -0.26 ± eV
Point Group Symmetry C1
Synonyms
  • (5alpha)-7,8-didehydro-4,5-epoxy-3-methoxy-17-methylmorphinan-6-one
  • 3-methoxy-17-methyl-7,8-didehydro-4,5alpha-epoxymorphinan-6-one
  • 6-codeinone
  • 7,8-didehydro-4,5-epoxy-3-methoxy-17-methoxy-(5_)-morphinan-6-one
  • 7,8-didehydro-4,5-epoxy-3-methoxy-17-methoxy-(5alpha)-morphinan-6-one
  • codeinone
  • morphinan-6-one, 7,8-didehydro-4,5-alpha-epoxy-3-methoxy-17-methyl-
  • morphinan-6-one, 7,8-didehydro-4,5-epoxy-3-methoxy-17-methyl-, (5-alpha)- (9ci)
CAS Number(s)
  • 467-13-0
InChIKey XYYVYLMBEZUESM-CMKMFDCUSA-N
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