(3As,6As,8S,9Ar,9Bs)-3,6,9-Tris(Methylene)-2-Oxododecahydroazuleno[4,5-B]Furan-8-Yl Acetate

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Properties Simple | Detailed

Formula C17H20O4
IUPAC Name [(3as,6as,8s,9ar,9bs)-3,6,9-trimethylene-2-oxo-3a,4,5,6a,7,8,9a,9b-octahydroazuleno[4,5-b]furan-8-yl] acetate
Molecular Mass 288.338 g·mol−1
Heat of Formation -568.5 ± 16.7 kJ·mol−1
Dipole Moment 4.89 ± 1.08 D
Volume 353.82 Å 3
Surface Area 305.9 Å 2
HOMO Energy -10.07 ± 0.55 eV
LUMO Energy -0.26 ± eV
Point Group Symmetry C1
Synonyms
  • (8r,9br)-3,6,9-tris(methylene)-2-oxododecahydroazuleno[4,5-b]furan-8-yl rel-acetate
  • [(3as,6as,8s,9ar,9bs)-3,6,9-trimethylene-2-oxo-3a,4,5,6a,7,8,9a,9b-octahydroazuleno[4,5-b]furan-8-yl] acetate
  • [(3as,6as,8s,9ar,9bs)-3,6,9-trimethylidene-2-oxo-3a,4,5,6a,7,8,9a,9b-octahydroazuleno[4,5-b]furan-8-yl] acetate
  • [(3as,6as,8s,9ar,9bs)-3,6,9-trimethylidene-2-oxo-3a,4,5,6a,7,8,9a,9b-octahydroazuleno[4,5-b]furan-8-yl] ethanoate
  • acetic acid 3,6,9-trimethylene-2-oxo-dodecahydro-azuleno[4,5-b]furan-8-yl ester
  • acetic acid [(3as,6as,8s,9ar,9bs)-2-keto-3,6,9-trimethylene-3a,4,5,6a,7,8,9a,9b-octahydroazuleno[5,4-d]furan-8-yl] ester
  • acetic acid [(3as,6as,8s,9ar,9bs)-3,6,9-trimethylene-2-oxo-3a,4,5,6a,7,8,9a,9b-octahydroazuleno[4,5-b]furan-8-yl] ester
  • azuleno[4,5-b]furan-2(3h)-one, 8-(acetyloxy)decahydro-3,6,9-tris(methylene)-, (8s,9bs)-
  • zaluzanin-d
InChIKey GKMFOEIZCLMZDE-QRJUGERDSA-N
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