(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 (2E)-2-Methyl-2-Butenoate

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Properties Simple | Detailed

Formula C20H26O5
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] (e)-2-methylbut-2-enoate
Molecular Mass 346.417 g·mol−1
Heat of Formation -854.6 ± 16.7 kJ·mol−1
Dipole Moment 5.72 ± 1.08 D
Volume 421.55 Å 3
Surface Area 335.39 Å 2
HOMO Energy -10.04 ± 0.55 eV
LUMO Energy -0.34 ± eV
Point Group Symmetry C1
Synonyms
  • (e)-2-methylbut-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
  • (e)-2-methylbut-2-enoic 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
  • 11,13-dihydrohelenalin tiglate
  • 2-butenoic acid, 2-methyl-, (3s,3ar,4s,4ar,7ar,8r,9ar)-2,3,3a,4,4a,5,7a,8,9,9a-decahydro-3,4a,8-trimethyl-2,5-dioxoazuleno(6,5-b)furan-4-yl ester, (2e)-
  • 2-butenoic acid, 2-methyl-, 2,3,3a,4,4a,5,7a,8,9,9a-decahydro-3,4a,8-trimethyl-2,5-dioxoazuleno(6,5-b)furan-4-yl ester, (3s-(3alpha,3abeta,4betae),4aalpha,7abeta,8beta,9abeta))-
  • 6-o-tigloyl-11,13-dihydrohelenalin
  • [(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] (e)-2-methylbut-2-enoate
  • microhelenin c
CAS Number(s)
  • 63569-07-3
InChIKey KUPPZVXLWANEJJ-YFVRYKHXSA-N
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