(3S,3Ar,4S,4Ar,7Ar,8R,9Ar)-3,4A,8-Trimethyl-2,5-Dioxo-2,3,3A,4,4A,5,7A,8,9,9A-Decahydroazuleno[6,5-B]Furan-4-Yl Methacrylate

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Formula C19H24O5
IUPAC Name [(1s,3ar,5r,5ar,8ar,9s,9ar)-1,5,8a-trimethyl-2,8-dioxo-3a,4,5,5a,9,9a-hexahydro-1h-azuleno[6,5-b]furan-9-yl] 2-methylprop-2-enoate
Molecular Mass 332.391 g·mol−1
Heat of Formation -813.1 ± 16.7 kJ·mol−1
Dipole Moment 5.54 ± 1.08 D
Volume 403.41 Å 3
Surface Area 317.29 Å 2
HOMO Energy -10.08 ± 0.55 eV
LUMO Energy -0.68 ± eV
Point Group Symmetry C1
Synonyms
  • 2-methylacrylic acid [(1s,3ar,5r,5ar,8ar,9s,9ar)-2,8-diketo-1,5,8a-trimethyl-3a,4,5,5a,9,9a-hexahydro-1h-azuleno[5,6-d]furan-9-yl] ester
  • 2-methylprop-2-enoic acid [(1s,3ar,5r,5ar,8ar,9s,9ar)-1,5,8a-trimethyl-2,8-dioxo-3a,4,5,5a,9,9a-hexahydro-1h-azuleno[6,5-b]furan-9-yl] ester
  • [(1s,3ar,5r,5ar,8ar,9s,9ar)-1,5,8a-trimethyl-2,8-dioxo-3a,4,5,5a,9,9a-hexahydro-1h-azuleno[6,5-b]furan-9-yl] 2-methylprop-2-enoate
CAS Number(s)
  • 34532-68-8
InChIKey NZESEVTYUVXOTC-APDQSUQKSA-N
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