6B-Hydroxy-4-Oxo-10Ah-Ambrosa-2,11(13)-Dien-12-Oic Acid G-Lactone

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Formula C15H18O3
IUPAC Name (3as,6s,6ar,9ar,9br)-6,9a-dimethyl-3-methylene-3a,4,5,6,6a,9b-hexahydroazuleno[8,7-b]furan-2,9-dione
Molecular Mass 246.302 g·mol−1
Heat of Formation -376.4 ± 16.7 kJ·mol−1
Dipole Moment 7.77 ± 1.08 D
Volume 296.42 Å 3
Surface Area 245.71 Å 2
HOMO Energy -9.80 ± 0.55 eV
LUMO Energy -0.23 ± eV
Point Group Symmetry C1
Synonyms
  • (3as,6s,6ar,9ar,9br)-6,9a-dimethyl-3-methylene-3a,4,5,6,6a,9b-hexahydroazuleno[7,8-d]furan-2,9-dione
  • (3as,6s,6ar,9ar,9br)-6,9a-dimethyl-3-methylene-3a,4,5,6,6a,9b-hexahydroazuleno[7,8-d]furan-2,9-quinone
  • (3as,6s,6ar,9ar,9br)-6,9a-dimethyl-3-methylidene-3a,4,5,6,6a,9b-hexahydroazuleno[7,8-d]furan-2,9-dione
  • 10alphah-ambrosa-2,11(13)-dien-12-oic acid, 6beta-hydroxy-4-oxo-, gamma-lactone (8ci)
  • 3,3a,4,5,6,6a,9a,9b-octahydro-6,9a-dimethyl-3-methyleneazuleno(4,5b)furan-2,9-dione
  • acon0_000311
  • acon1_002230
  • azuleno(4,5-b)furan-2,9-dione, 3,3a,4,5,6,6a,9a,9b-octahydro-6,9a-dimethyl-3-methylene-, (3as-(3aalpha,6beta,6aalpha,9abeta,9balpha))- (9ci)
  • megxp0_001652
CAS Number(s)
  • 509-93-3
InChIKey IFXGCKRDLITNAU-JHSUYXJUSA-N
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