(3Ar,4S,4Ar,7As,8R,9As)-4A,8-Dimethyl-3-Methylene-2,5-Dioxododecahydroazuleno[6,5-B]Furan-4-Yl Acetate

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Properties Simple | Detailed

Formula C17H22O5
IUPAC Name [(3as,5r,5as,8ar,9s,9ar)-5,8a-dimethyl-1-methylene-2,8-dioxo-3a,4,5,5a,6,7,9,9a-octahydroazuleno[6,5-b]furan-9-yl] acetate
Molecular Mass 306.354 g·mol−1
Heat of Formation -908.4 ± 16.7 kJ·mol−1
Dipole Moment 4.19 ± 1.08 D
Volume 366.04 Å 3
Surface Area 293.26 Å 2
HOMO Energy -10.04 ± 0.55 eV
LUMO Energy -0.23 ± eV
Point Group Symmetry C1
Synonyms
  • [(3as,5r,5as,8ar,9s,9ar)-5,8a-dimethyl-1-methylene-2,8-dioxo-3a,4,5,5a,6,7,9,9a-octahydroazuleno[6,5-b]furan-9-yl] acetate
  • [(3as,5r,5as,8ar,9s,9ar)-5,8a-dimethyl-1-methylidene-2,8-dioxo-3a,4,5,5a,6,7,9,9a-octahydroazuleno[6,5-b]furan-9-yl] acetate
  • [(3as,5r,5as,8ar,9s,9ar)-5,8a-dimethyl-1-methylidene-2,8-dioxo-3a,4,5,5a,6,7,9,9a-octahydroazuleno[6,5-b]furan-9-yl] ethanoate
  • acetic acid [(3as,5r,5as,8ar,9s,9ar)-2,8-diketo-5,8a-dimethyl-1-methylene-3a,4,5,5a,6,7,9,9a-octahydroazuleno[5,6-d]furan-9-yl] ester
  • acetic acid [(3as,5r,5as,8ar,9s,9ar)-5,8a-dimethyl-1-methylene-2,8-dioxo-3a,4,5,5a,6,7,9,9a-octahydroazuleno[6,5-b]furan-9-yl] ester
CAS Number(s)
  • 54999-07-4
InChIKey JCDZXDWMCKMXFF-MMLVVLEOSA-N
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