(1R)-1-[(3Ar,7S,8Ar)-7-Methyl-3-Methylene-2-Oxo-3,3A,4,7,8,8A-Hexahydro-2H-Cyclohepta[B]Furan-6-Yl]-3-Oxobutyl Acetate

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Properties Simple | Detailed

Formula C17H22O5
IUPAC Name [(1r)-1-[(3ar,7s,8ar)-7-methyl-3-methylene-2-oxo-4,7,8,8a-tetrahydro-3ah-cyclohepta[b]furan-6-yl]-3-oxo-butyl] acetate
Molecular Mass 306.354 g·mol−1
Heat of Formation -849.4 ± 16.7 kJ·mol−1
Dipole Moment 3.60 ± 1.08 D
Volume 382.1 Å 3
Surface Area 317.96 Å 2
HOMO Energy -9.98 ± 0.55 eV
LUMO Energy 2.68 ± eV
Point Group Symmetry C1
Synonyms
  • [(1r)-1-[(3ar,7s,8ar)-7-methyl-3-methylene-2-oxo-4,7,8,8a-tetrahydro-3ah-cyclohepta[b]furan-6-yl]-3-oxo-butyl] acetate
  • [(1r)-1-[(3ar,7s,8ar)-7-methyl-3-methylidene-2-oxo-4,7,8,8a-tetrahydro-3ah-cyclohepta[b]furan-6-yl]-3-oxo-butyl] ethanoate
  • [(1r)-1-[(3ar,7s,8ar)-7-methyl-3-methylidene-2-oxo-4,7,8,8a-tetrahydro-3ah-cyclohepta[b]furan-6-yl]-3-oxobutyl] acetate
  • acetic acid [(1r)-1-[(3ar,7s,8ar)-2-keto-7-methyl-3-methylene-4,7,8,8a-tetrahydro-3ah-cyclohepta[d]furan-6-yl]-3-keto-butyl] ester
  • acetic acid [(1r)-1-[(3ar,7s,8ar)-7-methyl-3-methylene-2-oxo-4,7,8,8a-tetrahydro-3ah-cyclohepta[b]furan-6-yl]-3-oxobutyl] ester
CAS Number(s)
  • 26791-72-0
InChIKey DPSCQKGSAHTWSP-LDYRWJSCSA-N
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