(5α,6α)-3,6-Dihydroxy-17-Methyl-7,8-Didehydro-4,5-Epoxymorphinan-10-One

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Formula C17H17NO4
IUPAC Name (4s,4ar,7s,7ar,12bs)-7,9-dihydroxy-3-methyl-1,2,4,4a,7,7a-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-13-one
Molecular Mass 299.321 g·mol−1
Heat of Formation -442.4 ± 16.7 kJ·mol−1
Dipole Moment 2.02 ± 1.08 D
Volume 333.36 Å 3
Surface Area 274.19 Å 2
HOMO Energy -8.97 ± 0.55 eV
LUMO Energy -0.73 ± eV
Point Group Symmetry C1
Synonyms
  • 10-oxomorphine
  • morphinan-10-one, 7,8-didehydro-4,5-epoxy-3,6-dihydroxy-17-methyl-, (5alpha,6alpha)-
CAS Number(s)
  • 68254-48-8
InChIKey HNJBQZPKNKFLFM-CBEJNMEVSA-N
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