Aplyviolene

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Properties Simple | Detailed

Formula C22H32O5
IUPAC Name [(1s,5r,6s,8r)-8-[(1r,3ar,8as)-1,4,4-trimethyl-8-methylene-3,3a,5,6,7,8a-hexahydro-2h-azulen-1-yl]-3-oxo-2,7-dioxabicyclo[3.2.1]octan-6-yl] acetate
Molecular Mass 376.486 g·mol−1
Heat of Formation -973.8 ± 16.7 kJ·mol−1
Dipole Moment 6.82 ± 1.08 D
Volume 462.66 Å 3
Surface Area 358.73 Å 2
HOMO Energy -9.79 ± 0.55 eV
LUMO Energy 0.85 ± eV
Point Group Symmetry C1
Synonyms
  • [(1r,5s,7s,8r)-8-[(1r,3ar,8as)-1,4,4-trimethyl-8-methylene-3,3a,5,6,7,8a-hexahydro-2h-azulen-1-yl]-3-oxo-4,6-dioxabicyclo[3.2.1]octan-7-yl] acetate
  • [(1r,5s,7s,8r)-8-[(1r,3ar,8as)-1,4,4-trimethyl-8-methylidene-3,3a,5,6,7,8a-hexahydro-2h-azulen-1-yl]-3-oxo-4,6-dioxabicyclo[3.2.1]octan-7-yl] acetate
  • [(1r,5s,7s,8r)-8-[(1r,3ar,8as)-1,4,4-trimethyl-8-methylidene-3,3a,5,6,7,8a-hexahydro-2h-azulen-1-yl]-3-oxo-4,6-dioxabicyclo[3.2.1]octan-7-yl] ethanoate
  • acetic acid [(1r,5s,7s,8r)-8-[(1r,3ar,8as)-1,4,4-trimethyl-8-methylene-3,3a,5,6,7,8a-hexahydro-2h-azulen-1-yl]-3-keto-4,6-dioxabicyclo[3.2.1]octan-7-yl] ester
  • acetic acid [(1r,5s,7s,8r)-8-[(1r,3ar,8as)-1,4,4-trimethyl-8-methylene-3,3a,5,6,7,8a-hexahydro-2h-azulen-1-yl]-3-oxo-4,6-dioxabicyclo[3.2.1]octan-7-yl] ester
InChIKey KUMXKDACHVUJFQ-XBVKSZALSA-N
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