(6β,7β,9Alpha,13Alpha)-3,8-Dimethoxy-8,14-Didehydromorphinan-4,6,7-Triol

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Properties Simple | Detailed

Formula C18H23NO5
IUPAC Name (1s,9s,12s,13s)-4,11-dimethoxy-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5,10-tetraene-3,12,13-triol
Molecular Mass 333.379 g·mol−1
Heat of Formation -745.7 ± 16.7 kJ·mol−1
Dipole Moment 0.20 ± 1.08 D
Volume 381.01 Å 3
Surface Area 311.47 Å 2
HOMO Energy -8.56 ± 0.55 eV
LUMO Energy -0.02 ± eV
Point Group Symmetry C1
Synonyms
  • (6beta,7beta,9alpha,13alpha)-8,14-didehydro-3,8-dimethoxymorphinan-4,6,7-triol
  • morphinan-4,6,7-triol, 8,14-didehydro-3,8-dimethoxy-, (6beta,7beta,9alpha,13alpha)-
  • sinococuline
CAS Number(s)
  • 109351-36-2
InChIKey MFKPWBJXKCSPGK-KNORBDTNSA-N
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