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

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Properties Simple | Detailed

Formula C17H24O6
IUPAC Name [(3ar,5r,5as,6s,8r,8as,9s,9as)-8,9-dihydroxy-5,8a-dimethyl-1-methylene-2-oxo-4,5,5a,6,7,8,9,9a-octahydro-3ah-azuleno[6,5-b]furan-6-yl] acetate
Molecular Mass 324.369 g·mol−1
Heat of Formation -1155.3 ± 16.7 kJ·mol−1
Dipole Moment 5.45 ± 1.08 D
Volume 385.01 Å 3
Surface Area 309.65 Å 2
HOMO Energy -10.36 ± 0.55 eV
LUMO Energy -0.05 ± eV
Point Group Symmetry C1
Synonyms
  • [(3ar,5r,5as,6s,8r,8as,9s,9as)-8,9-dihydroxy-5,8a-dimethyl-1-methylene-2-oxo-4,5,5a,6,7,8,9,9a-octahydro-3ah-azuleno[6,5-b]furan-6-yl] acetate
  • [(3ar,5r,5as,6s,8r,8as,9s,9as)-8,9-dihydroxy-5,8a-dimethyl-1-methylidene-2-oxo-4,5,5a,6,7,8,9,9a-octahydro-3ah-azuleno[6,5-b]furan-6-yl] acetate
  • [(3ar,5r,5as,6s,8r,8as,9s,9as)-8,9-dihydroxy-5,8a-dimethyl-1-methylidene-2-oxo-4,5,5a,6,7,8,9,9a-octahydro-3ah-azuleno[6,5-b]furan-6-yl] ethanoate
  • acetic acid [(3ar,5r,5as,6s,8r,8as,9s,9as)-8,9-dihydroxy-2-keto-5,8a-dimethyl-1-methylene-4,5,5a,6,7,8,9,9a-octahydro-3ah-azuleno[5,6-d]furan-6-yl] ester
  • acetic acid [(3ar,5r,5as,6s,8r,8as,9s,9as)-8,9-dihydroxy-5,8a-dimethyl-1-methylene-2-oxo-4,5,5a,6,7,8,9,9a-octahydro-3ah-azuleno[6,5-b]furan-6-yl] ester
InChIKey TVXMVPIXPQJTJQ-ZBUGIYPBSA-N
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