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

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Properties Simple | Detailed

Formula C17H17NO3
IUPAC Name (3s,4r,4ar,7ar,12bs)-9-hydroxy-3-methyl-1,2,4,4a,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinoline-7-one
Molecular Mass 283.322 g·mol−1
Heat of Formation -247.9 ± 16.7 kJ·mol−1
Dipole Moment 6.39 ± 1.08 D
Volume 322.07 Å 3
Surface Area 269.37 Å 2
HOMO Energy -8.60 ± 0.55 eV
LUMO Energy -0.22 ± eV
Point Group Symmetry C1
Synonyms
  • (5alpha)-7,8-didehydro-4,5-epoxy-3-hydroxy-17-methylmorphinan-6-one
  • 3-hydroxy-17-methyl-7,8-didehydro-4,5-epoxy-5alpha-morphinan-6-one
  • didehydro-4,5-alpha-epoxy-3-hydroxy-17-methylmorphinan-6-one
  • morphinan-6-one, 7,8-didehydro-4,5-epoxy-3-hydroxy-17-methyl-, (5-alpha)-
  • morphinone
CAS Number(s)
  • 467-02-7
InChIKey PFBSOANQDDTNGJ-YNHQPCIGSA-N
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