(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 Acetate

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Formula C17H20O5
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] acetate
Molecular Mass 304.338 g·mol−1
Heat of Formation -769.9 ± 16.7 kJ·mol−1
Dipole Moment 5.37 ± 1.08 D
Volume 360.83 Å 3
Surface Area 292.18 Å 2
HOMO Energy -10.09 ± 0.55 eV
LUMO Energy -0.38 ± eV
Point Group Symmetry C1
Synonyms
  • [(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] acetate
  • [(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] acetate
  • [(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] ethanoate
  • acetic 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
  • acetic 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
  • angustibalin
  • helenalin acetate
InChIKey DCNRYQODUSSOKC-HKHYKUHTSA-N
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