(1R,5R,7S)-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

Molecule SVG Image

Properties Simple | Detailed

Formula C31H18O4
IUPAC Name (1r,5r,7s)-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 454.472 g·mol−1
Heat of Formation -660.9 ± 16.7 kJ·mol−1
Dipole Moment 5.71 ± 1.08 D
Volume 654.91 Å 3
Surface Area 450.12 Å 2
HOMO Energy -9.25 ± 0.55 eV
LUMO Energy 2.81 ± eV
Point Group Symmetry C1
Synonyms
  • (1r,5r,7s)-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
  • (1r,5r,7s)-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
  • (1r,5r,7s)-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
  • 1-benzoyl-3,5,7-tri-(3-methyl-2-butenyl)-4-hydroxy-8-dimethyl-bicyclo[3.3.1]-3-nonene-2,9-dione
  • 1-benzoyl-4-hydroxy-8,8-dimethyl-3,5,7-tris-(3-methyl-but-2-enyl)-bicyclo[3.3.1]non-3-ene-2,9-dione
  • bicyclo[3.3.1]non-3-ene-2,9-dione, 1-benzoyl-4-hydroxy-8,8-dimethyl-3,5,7-tris(3-methyl-2-butenyl)-, (1r,5r,7s)-
  • nemorosone
  • rel-(1r,5r,7s)-1-benzoyl-4-hydroxy-8,8-dimethyl-3,5,7-tris(3-methylbut-2-en-1-yl)bicyclo[3.3.1]non-3-ene-2,9-dione
InChIKey SYKFHCWMZKYPEA-RFQWPUQQSA-N
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