(3Ar,4S,6Ar,9S,9As,9Bs)-9-Hydroxy-9-Methyl-3,6-Bis(Methylene)-2-Oxododecahydroazuleno[4,5-B]Furan-4-Yl Acetate

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Properties Simple | Detailed

Formula C17H22O5
IUPAC Name [(3ar,4s,6ar,9s,9as,9bs)-9-hydroxy-9-methyl-3,6-dimethylene-2-oxo-3a,4,5,6a,7,8,9a,9b-octahydroazuleno[4,5-b]furan-4-yl] acetate
Molecular Mass 306.354 g·mol−1
Heat of Formation -875.6 ± 16.7 kJ·mol−1
Dipole Moment 5.33 ± 1.08 D
Volume 367.11 Å 3
Surface Area 304.62 Å 2
HOMO Energy -10.00 ± 0.55 eV
LUMO Energy -0.30 ± eV
Point Group Symmetry C1
Synonyms
  • [(3ar,4s,6ar,9s,9as,9bs)-9-hydroxy-9-methyl-3,6-dimethylene-2-oxo-3a,4,5,6a,7,8,9a,9b-octahydroazuleno[4,5-b]furan-4-yl] acetate
  • [(3ar,4s,6ar,9s,9as,9bs)-9-hydroxy-9-methyl-3,6-dimethylidene-2-oxo-3a,4,5,6a,7,8,9a,9b-octahydroazuleno[4,5-b]furan-4-yl] acetate
  • [(3ar,4s,6ar,9s,9as,9bs)-9-hydroxy-9-methyl-3,6-dimethylidene-2-oxo-3a,4,5,6a,7,8,9a,9b-octahydroazuleno[4,5-b]furan-4-yl] ethanoate
  • acetic acid [(3ar,4s,6ar,9s,9as,9bs)-9-hydroxy-9-methyl-3,6-dimethylene-2-oxo-3a,4,5,6a,7,8,9a,9b-octahydroazuleno[4,5-b]furan-4-yl] ester
  • beta-cyclolipiferolide
CAS Number(s)
  • 82461-08-3
InChIKey BOGLHGTVFPSTPV-XSNIPSOOSA-N
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