3-Epi-Perforenone A

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Formula C15H22O2
IUPAC Name (3r,4r,4ar)-3-hydroxy-1,4,4a,7-tetramethyl-4,5,8,9-tetrahydro-3h-benzo[7]annulen-2-one
Molecular Mass 234.334 g·mol−1
Heat of Formation -389.9 ± 16.7 kJ·mol−1
Dipole Moment 3.52 ± 1.08 D
Volume 304.96 Å 3
Surface Area 253.49 Å 2
HOMO Energy -9.40 ± 0.55 eV
LUMO Energy -0.04 ± eV
Point Group Symmetry C1
Synonyms
  • (3r,4r,4ar)-3-hydroxy-1,4,4a,7-tetramethyl-4,5,8,9-tetrahydro-3h-benzo[7]annulen-2-one
  • 2h-benzocyclohepten-2-one, 3,4,4a,5,8,9-hexahydro-3-hydroxy-1,4,4a,7-tetramethyl-, (3r,4r,4ar)-
  • 3-hydroxy-1,4,4a,7-tetramethyl-3,4,4a,5,8,9-hexahydro-benzocyclohepten-2-one
  • rel-(3r,4r,4ar)-3-hydroxy-1,4,4a,7-tetramethyl-3,4,4a,5,8,9-hexahydro-2h-benzo[7]annulen-2-one
InChIKey FUPXAIKSURJKNB-NILFDRSVSA-N
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