(1R,3S,5S,6S)-8-Methyl-6-{[(2E)-3-(3,4,5-Trimethoxyphenyl)-2-Propenoyl]Oxy}-8-Azabicyclo[3.2.1]Oct-3-Yl 3,4,5-Trimethoxybenzoate

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Formula C30H37NO10
IUPAC Name [(1r,3s,5s,6s)-8-methyl-6-[(e)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]oxy-8-azabicyclo[3.2.1]octan-3-yl] 3,4,5-trimethoxybenzoate
Molecular Mass 571.615 g·mol−1
Heat of Formation -1401.8 ± 16.7 kJ·mol−1
Dipole Moment 1.62 ± 1.08 D
Volume 671.11 Å 3
Surface Area 517.39 Å 2
HOMO Energy -8.48 ± 0.55 eV
LUMO Energy 2.37 ± eV
Point Group Symmetry C1
Synonyms
  • 3,4,5-trimethoxybenzoic acid [(1s,3s,5r,7s)-8-methyl-7-[(e)-1-oxo-3-(3,4,5-trimethoxyphenyl)prop-2-enoxy]-8-azabicyclo[3.2.1]octan-3-yl] ester
  • 3,4,5-trimethoxybenzoic acid [(1s,3s,5r,7s)-8-methyl-7-[(e)-3-(3,4,5-trimethoxyphenyl)acryloyl]oxy-8-azabicyclo[3.2.1]octan-3-yl] ester
  • [(1s,3s,5r,7s)-8-methyl-7-[(e)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]oxy-8-azabicyclo[3.2.1]octan-3-yl] 3,4,5-trimethoxybenzoate
InChIKey KKZAOZSLMGOEFU-BTKOBMKTSA-N
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