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

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Properties Simple | Detailed

Formula C17H22O5
IUPAC Name [(3as,5as,6s,8r,8ar,9ar)-8-hydroxy-5,8-dimethyl-1-methylene-2-oxo-5a,6,7,8a,9,9a-hexahydro-3ah-azuleno[6,5-b]furan-6-yl] acetate
Molecular Mass 306.354 g·mol−1
Heat of Formation -877.7 ± 16.7 kJ·mol−1
Dipole Moment 4.10 ± 1.08 D
Volume 372.4 Å 3
Surface Area 308.41 Å 2
HOMO Energy -9.75 ± 0.55 eV
LUMO Energy -0.27 ± eV
Point Group Symmetry C1
Synonyms
  • [(3as,5as,6s,8r,8ar,9ar)-8-hydroxy-5,8-dimethyl-1-methylene-2-oxo-5a,6,7,8a,9,9a-hexahydro-3ah-azuleno[6,5-b]furan-6-yl] acetate
  • [(3as,5as,6s,8r,8ar,9ar)-8-hydroxy-5,8-dimethyl-1-methylidene-2-oxo-5a,6,7,8a,9,9a-hexahydro-3ah-azuleno[6,5-b]furan-6-yl] acetate
  • [(3as,5as,6s,8r,8ar,9ar)-8-hydroxy-5,8-dimethyl-1-methylidene-2-oxo-5a,6,7,8a,9,9a-hexahydro-3ah-azuleno[6,5-b]furan-6-yl] ethanoate
  • acetic acid [(3as,5as,6s,8r,8ar,9ar)-8-hydroxy-2-keto-5,8-dimethyl-1-methylene-5a,6,7,8a,9,9a-hexahydro-3ah-azuleno[5,6-d]furan-6-yl] ester
  • acetic acid [(3as,5as,6s,8r,8ar,9ar)-8-hydroxy-5,8-dimethyl-1-methylene-2-oxo-5a,6,7,8a,9,9a-hexahydro-3ah-azuleno[6,5-b]furan-6-yl] ester
  • gaillardin
CAS Number(s)
  • 14682-46-3
InChIKey UTPGJEROJZHISI-DFGCRIRUSA-N
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