(1R,5R,6S,7S,8S)-1-Allyl-6-(4-Hydroxy-3-Methoxyphenyl)-3-Methoxy-7-Methyl-4-Oxobicyclo[3.2.1]Oct-2-En-8-Yl Acetate

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Properties Simple | Detailed

Formula C22H26O6
IUPAC Name [(1r,5r,6s,7s,8s)-5-allyl-7-(4-hydroxy-3-methoxy-phenyl)-3-methoxy-6-methyl-2-oxo-8-bicyclo[3.2.1]oct-3-enyl] acetate
Molecular Mass 386.438 g·mol−1
Heat of Formation -854.3 ± 16.7 kJ·mol−1
Dipole Moment 7.18 ± 1.08 D
Volume 473.49 Å 3
Surface Area 375.78 Å 2
HOMO Energy -8.96 ± 0.55 eV
LUMO Energy -0.23 ± eV
Point Group Symmetry C1
Synonyms
  • [(1r,5r,6s,7s,8s)-1-allyl-6-(4-hydroxy-3-methoxy-phenyl)-3-methoxy-7-methyl-4-oxo-8-bicyclo[3.2.1]oct-2-enyl] acetate
  • [(1r,5r,6s,7s,8s)-6-(4-hydroxy-3-methoxy-phenyl)-3-methoxy-7-methyl-4-oxo-1-prop-2-enyl-8-bicyclo[3.2.1]oct-2-enyl] ethanoate
  • [(1r,5r,6s,7s,8s)-6-(4-hydroxy-3-methoxyphenyl)-3-methoxy-7-methyl-4-oxo-1-prop-2-enyl-8-bicyclo[3.2.1]oct-2-enyl] acetate
  • acetic acid [(1r,5r,6s,7s,8s)-1-allyl-6-(4-hydroxy-3-methoxy-phenyl)-4-keto-3-methoxy-7-methyl-8-bicyclo[3.2.1]oct-2-enyl] ester
  • acetic acid [(1r,5r,6s,7s,8s)-1-allyl-6-(4-hydroxy-3-methoxyphenyl)-3-methoxy-7-methyl-4-oxo-8-bicyclo[3.2.1]oct-2-enyl] ester
InChIKey ZCLWBGXLYWCXHJ-OEYDJLRNSA-N
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