(3Ar,4S,4Ar,7Ar,8R,9Ar)-4A,8-Dimethyl-3-Methylene-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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Properties Simple | Detailed

Formula C19H22O5
IUPAC Name [(3ar,5r,5ar,8ar,9s,9ar)-5,8a-dimethyl-1-methylene-2,8-dioxo-3a,4,5,5a,9,9a-hexahydroazuleno[6,5-b]furan-9-yl] 2-methylprop-2-enoate
Molecular Mass 330.375 g·mol−1
Heat of Formation -699.7 ± 16.7 kJ·mol−1
Dipole Moment 5.49 ± 1.08 D
Volume 400.5 Å 3
Surface Area 316.11 Å 2
HOMO Energy -10.08 ± 0.55 eV
LUMO Energy -0.39 ± eV
Point Group Symmetry C1
Synonyms
  • 2-methylacrylic acid [(3ar,5r,5ar,8ar,9s,9ar)-2,8-diketo-5,8a-dimethyl-1-methylene-3a,4,5,5a,9,9a-hexahydroazuleno[5,6-d]furan-9-yl] ester
  • 2-methylprop-2-enoic acid [(3ar,5r,5ar,8ar,9s,9ar)-5,8a-dimethyl-1-methylene-2,8-dioxo-3a,4,5,5a,9,9a-hexahydroazuleno[6,5-b]furan-9-yl] ester
  • 2-propenoic acid, 2-methyl-, 2,3,3a,4,4a,5,7a,8,9,9a-decahydro-4a,8-dimethyl-3-methylene-2,5-dioxoazuleno(6,5-b)furan-4-yl ester, (3ar-(3aalpha,4alpha,4abeta,7aalpha,8alpha,9aalpha))-
  • [(3ar,5r,5ar,8ar,9s,9ar)-5,8a-dimethyl-1-methylene-2,8-dioxo-3a,4,5,5a,9,9a-hexahydroazuleno[6,5-b]furan-9-yl] 2-methylprop-2-enoate
  • [(3ar,5r,5ar,8ar,9s,9ar)-5,8a-dimethyl-1-methylidene-2,8-dioxo-3a,4,5,5a,9,9a-hexahydroazuleno[6,5-b]furan-9-yl] 2-methylprop-2-enoate
  • helenalin methacrylate
CAS Number(s)
  • 68798-43-6
InChIKey USRAFFQOAADTTD-SVAVSBTGSA-N
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