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

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Properties Simple | Detailed

Formula C22H24O6
IUPAC Name [(1s,5r,6s,7s,8s)-3-allyl-6-(1,3-benzodioxol-5-yl)-1-methoxy-7-methyl-4-oxo-8-bicyclo[3.2.1]oct-2-enyl] acetate
Molecular Mass 384.422 g·mol−1
Heat of Formation -782.5 ± 16.7 kJ·mol−1
Dipole Moment 3.05 ± 1.08 D
Volume 459.69 Å 3
Surface Area 371.72 Å 2
HOMO Energy -8.83 ± 0.55 eV
LUMO Energy -0.45 ± eV
Point Group Symmetry C1
Synonyms
  • [(1s,5r,6s,7s,8s)-3-allyl-6-(1,3-benzodioxol-5-yl)-1-methoxy-7-methyl-4-oxo-8-bicyclo[3.2.1]oct-2-enyl] acetate
  • [(1s,5r,6s,7s,8s)-6-(1,3-benzodioxol-5-yl)-1-methoxy-7-methyl-4-oxo-3-prop-2-enyl-8-bicyclo[3.2.1]oct-2-enyl] acetate
  • [(1s,5r,6s,7s,8s)-6-(1,3-benzodioxol-5-yl)-1-methoxy-7-methyl-4-oxo-3-prop-2-enyl-8-bicyclo[3.2.1]oct-2-enyl] ethanoate
  • acetic acid [(1s,5r,6s,7s,8s)-3-allyl-6-(1,3-benzodioxol-5-yl)-1-methoxy-7-methyl-4-oxo-8-bicyclo[3.2.1]oct-2-enyl] ester
  • acetic acid [(1s,5r,6s,7s,8s)-3-allyl-6-(1,3-benzodioxol-5-yl)-4-keto-1-methoxy-7-methyl-8-bicyclo[3.2.1]oct-2-enyl] ester
InChIKey LCYNORHWGQHDLP-IIVBGBTBSA-N
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