(4β,8Alpha,9R)-6'-Methoxycinchonan-9-Yl Acetate

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Properties Simple | Detailed

Formula C22H26N2O3
IUPAC Name [(r)-(6-methoxy-4-quinolyl)-[(1r,2s,4r,5r)-5-vinylquinuclidin-2-yl]methyl] acetate
Molecular Mass 366.453 g·mol−1
Heat of Formation -281.7 ± 16.7 kJ·mol−1
Dipole Moment 3.51 ± 1.08 D
Volume 449.4 Å 3
Surface Area 374.77 Å 2
HOMO Energy -8.55 ± 0.55 eV
LUMO Energy -0.58 ± eV
Point Group Symmetry C1
Synonyms
  • [(r)-(6-methoxy-4-quinolyl)-[(2s,4r,5r)-5-vinylquinuclidin-2-yl]methyl] acetate
  • [(r)-[(4r,5r,7s)-5-ethenyl-1-azabicyclo[2.2.2]octan-7-yl]-(6-methoxyquinolin-4-yl)methyl] acetate
  • [(r)-[(4r,5r,7s)-5-ethenyl-1-azabicyclo[2.2.2]octan-7-yl]-(6-methoxyquinolin-4-yl)methyl] ethanoate
  • acetic acid [(r)-(6-methoxy-4-quinolyl)-[(2s,4r,5r)-5-vinyl-2-quinuclidinyl]methyl] ester
  • acetic acid [(r)-(6-methoxy-4-quinolyl)-[(2s,4r,5r)-5-vinylquinuclidin-2-yl]methyl] ester
  • acetylquinine
  • cinchonan-9-ol, 6'-methoxy-, acetate (ester), (8alpha,9r)-
CAS Number(s)
  • 18797-86-9
InChIKey LBXIBQQYUBUMMK-VYXDICFBSA-N
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