(5α,6Beta,14Beta,18R)-18-[(2R)-2-Hydroxy-4-Phenyl-2-Butanyl]-6-Methoxy-17-Methyl-7,8-Didehydro-18,19-Dihydro-4,5-Epoxy-6,14-Ethenomorphinan-3-Ol

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Properties Simple | Detailed

Formula C28H39NO4
IUPAC Name (5alpha,6beta,14beta,18r)-18-[(2r)-2-hydroxy-4-phenyl-2-butanyl]-6-methoxy-17-methyl-7,8-didehydro-18,19-dihydro-4,5-epoxy-6,14-ethenomorphinan-3-ol
Molecular Mass 453.614 g·mol−1
Heat of Formation -450.2 ± 16.7 kJ·mol−1
Dipole Moment 2.76 ± 1.08 D
Volume 572.82 Å 3
Surface Area 429.73 Å 2
HOMO Energy -8.55 ± 0.55 eV
LUMO Energy 3.13 ± eV
Point Group Symmetry C1
Synonyms
  • (1-hydroxy-1-methyl-3-phenylpropyl)-6,14-endo-ethenotetrahydrooripavine
  • 6,14-ethenomorphinan-7-methanol, alpha,17-dimethyl-4,5-epoxy-3-hydroxy-6-methoxy-alpha-(2-phenylethyl)-, (5-alpha,7-alpha(r))-
CAS Number(s)
  • 14521-98-3
InChIKey ALOSAFNTVICCGI-XELDOGJXSA-N
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