(1R,9R,13R)-1,13-Dimethyl-10-[(3-Methyl-2-Furyl)Methyl]-10-Azatricyclo[7.3.1.0~2,7~]Trideca-2,4,6-Trien-4-Ol

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Formula C20H25NO2
IUPAC Name (1r,9r,13r)-1,13-dimethyl-10-[(3-methyl-2-furyl)methyl]-10-azatricyclo[7.3.1.0 2,7 ]trideca-2,4,6-trien-4-ol
Molecular Mass 311.418 g·mol−1
Heat of Formation -226.7 ± 16.7 kJ·mol−1
Dipole Moment 1.65 ± 1.08 D
Volume 392.75 Å 3
Surface Area 322.75 Å 2
HOMO Energy -8.67 ± 0.55 eV
LUMO Energy 0.22 ± eV
Point Group Symmetry C1
Synonyms
  • (+)-alpha-5,9-demethyl-2-(3-methylfurfuryl)-2'-hydroxy-6,7-benzo morphan
  • 2,6-methano-3-benzazocin-8-ol, 1,2,3,4,5,6-hexahydro-6,11-dimethyl-3-((3-methyl-2-furanyl)methyl)-, (2-alpha,6-alpha,11r) (+)
  • mr 1353
  • nih-8737
  • um-911
CAS Number(s)
  • 59203-73-5
InChIKey OXQHKDIGLPECKK-BOUXLOLZSA-N
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