(1S,5S,13S,14R,15R,17S,18R)-10-Methoxy-4-Methyl-12,16-Dioxa-4-Azahexacyclo[9.7.1.0~1,13~.0~5,18~.0~7,19~.0~15,17~]Nonadeca-7(19),8,10-Trien-14-Ol

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Formula C18H21NO4
IUPAC Name (1s,5s,13s,14r,15r,17s,18r)-10-methoxy-4-methyl-12,16-dioxa-4-azahexacyclo[9.7.1.0 1,13 .0 5,18 .0 7,19 .0 15,17 ]nonadeca-7(19),8,10-trien-14-ol
Molecular Mass 315.364 g·mol−1
Heat of Formation -240.1 ± 16.7 kJ·mol−1
Dipole Moment 3.24 ± 1.08 D
Volume 359.06 Å 3
Surface Area 294.1 Å 2
HOMO Energy -8.47 ± 0.55 eV
LUMO Energy 0.17 ± eV
Point Group Symmetry C1
Synonyms
  • codeine epoxide
  • codeine-7,8-oxide
  • morphinan-6-ol, 4,5:7,8-diepoxy-3-methoxy-17-methyl-, (5alpha,6alpha,7beta,8beta)-
CAS Number(s)
  • 72785-20-7
InChIKey YKKBRPZURSPTDO-ZEQIOMTESA-N
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