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

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Formula C25H31NO5
IUPAC Name [(3s,4r,4ar,7s,7ar,12bs)-7-butanoyloxy-3-methyl-2,4,4a,7,7a,13-hexahydro-1h-4,12-methanobenzofuro[3,2-e]isoquinolin-9-yl] butanoate
Molecular Mass 425.517 g·mol−1
Heat of Formation -782.9 ± 16.7 kJ·mol−1
Dipole Moment 3.15 ± 1.08 D
Volume 509.87 Å 3
Surface Area 390.14 Å 2
HOMO Energy -8.69 ± 0.55 eV
LUMO Energy 0.18 ± eV
Point Group Symmetry C1
Synonyms
  • 3,6-dibutanoylmorphine
  • morphinan-3,6-diol, 7,8-didehydro-4,5-epoxy-17-methyl-, (5alpha,6alpha)-, dibutanoate (ester)
CAS Number(s)
  • 66641-03-0
InChIKey DOTAVBXFXPVSAS-OAQLGNTPSA-N
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