(1R,3S,5S,6S)-8-Methyl-3-(2-Phenylacetoxy)-8-Azabicyclo[3.2.1]Oct-6-Yl (2E)-3-(3,4,5-Trimethoxyphenyl)Acrylate

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Properties Simple | Detailed

Formula C28H33NO7
IUPAC Name [(1r,3s,5s,6s)-8-methyl-3-(2-phenylacetyl)oxy-8-azabicyclo[3.2.1]octan-6-yl] (e)-3-(3,4,5-trimethoxyphenyl)prop-2-enoate
Molecular Mass 495.564 g·mol−1
Heat of Formation -962.7 ± 16.7 kJ·mol−1
Dipole Moment 4.05 ± 1.08 D
Volume 596.43 Å 3
Surface Area 482.95 Å 2
HOMO Energy -8.77 ± 0.55 eV
LUMO Energy -0.58 ± eV
Point Group Symmetry C1
Synonyms
  • (e)-3-(3,4,5-trimethoxyphenyl)acrylic acid [(1s,3s,5r,7s)-8-methyl-3-(2-phenylacetyl)oxy-8-azabicyclo[3.2.1]octan-7-yl] ester
  • (e)-3-(3,4,5-trimethoxyphenyl)prop-2-enoic acid [(1s,3s,5r,7s)-8-methyl-3-(1-oxo-2-phenylethoxy)-8-azabicyclo[3.2.1]octan-7-yl] ester
  • [(1s,3s,5r,7s)-8-methyl-3-(2-phenylacetyl)oxy-8-azabicyclo[3.2.1]octan-7-yl] (e)-3-(3,4,5-trimethoxyphenyl)prop-2-enoate
  • [(1s,3s,5r,7s)-8-methyl-3-(2-phenylethanoyloxy)-8-azabicyclo[3.2.1]octan-7-yl] (e)-3-(3,4,5-trimethoxyphenyl)prop-2-enoate
InChIKey FKUUUFHXKIFGSF-KVDQYAGRSA-N
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