1-Benzoyl-4-Hydroxy-8,8-Dimethyl-3,5,7-Tris(3-Methyl-2-Buten-1-Yl)Bicyclo[3.3.1]Non-3-Ene-2,9-Dione

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Properties Simple | Detailed

Formula C31H24O4
IUPAC Name (1s,5s,7r)-1-(benzoyl)-4-hydroxy-8,8-dimethyl-3,5,7-tris(3-methylbut-2-enyl)bicyclo[3.3.1]non-3-ene-2,9-dione
Molecular Mass 460.520 g·mol−1
Heat of Formation -663.2 ± 16.7 kJ·mol−1
Dipole Moment 5.33 ± 1.08 D
Volume 647.07 Å 3
Surface Area 446.47 Å 2
HOMO Energy -9.20 ± 0.55 eV
LUMO Energy 2.80 ± eV
Point Group Symmetry C1
Synonyms
  • (1s,5s,7r)-1-(benzoyl)-4-hydroxy-8,8-dimethyl-3,5,7-tris(3-methylbut-2-enyl)bicyclo[3.3.1]non-3-ene-2,9-quinone
  • (1s,5s,7r)-4-hydroxy-8,8-dimethyl-3,5,7-tris(3-methylbut-2-enyl)-1-(oxo-phenylmethyl)bicyclo[3.3.1]non-3-ene-2,9-dione
  • (1s,5s,7r)-4-hydroxy-8,8-dimethyl-3,5,7-tris(3-methylbut-2-enyl)-1-phenylcarbonyl-bicyclo[3.3.1]non-3-ene-2,9-dione
InChIKey SYKFHCWMZKYPEA-CBHGIOBQSA-N
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