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

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Properties Simple | Detailed

Formula C19H26O7
IUPAC Name [(3ar,5r,5as,6r,7s,8r,8as,9ar)-7-acetoxy-8-hydroxy-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 366.406 g·mol−1
Heat of Formation -1324.2 ± 16.7 kJ·mol−1
Dipole Moment 6.09 ± 1.08 D
Volume 436.39 Å 3
Surface Area 349.4 Å 2
HOMO Energy -10.44 ± 0.55 eV
LUMO Energy -0.24 ± eV
Point Group Symmetry C1
Synonyms
  • [(3ar,5r,5as,6r,7s,8r,8as,9ar)-7-acetoxy-8-hydroxy-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,6r,7s,8r,8as,9ar)-7-acetyloxy-8-hydroxy-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,6r,7s,8r,8as,9ar)-7-acetyloxy-8-hydroxy-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,6r,7s,8r,8as,9ar)-7-acetoxy-8-hydroxy-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
  • hymenograndin
CAS Number(s)
  • 51292-55-8
InChIKey AXCKGAMPGDLORG-KKMGJOHJSA-N
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