(1R,3Z,5S,7S)-3-[Hydroxy(Phenyl)Methylene]-6,6-Dimethyl-1,5,7-Tris(3-Methyl-2-Buten-1-Yl)Bicyclo[3.3.1]Nonane-2,4,9-Trione

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Properties Simple | Detailed

Formula C33H40O4
IUPAC Name (1s,3z,5r,7s)-3-(hydroxy-phenylmethylidene)-8,8-dimethyl-1,5,7-tris(3-methylbut-2-enyl)bicyclo[3.3.1]nonane-2,4,9-trione
Molecular Mass 500.668 g·mol−1
Heat of Formation -659.9 ± 16.7 kJ·mol−1
Dipole Moment 3.33 ± 1.08 D
Volume 654.68 Å 3
Surface Area 446.65 Å 2
HOMO Energy -8.99 ± 0.55 eV
LUMO Energy 2.32 ± eV
Point Group Symmetry C1
Synonyms
  • (1s,3z,5r,7s)-3-(hydroxy-phenyl-methylene)-8,8-dimethyl-1,5,7-tris(3-methylbut-2-enyl)bicyclo[3.3.1]nonane-2,4,9-trione
  • (1s,3z,5r,7s)-3-(hydroxy-phenyl-methylidene)-8,8-dimethyl-1,5,7-tris(3-methylbut-2-enyl)bicyclo[3.3.1]nonane-2,4,9-trione
  • (1s,3z,5r,7s)-3-(hydroxy-phenylmethylene)-8,8-dimethyl-1,5,7-tris(3-methylbut-2-enyl)bicyclo[3.3.1]nonane-2,4,9-trione
  • 7-epiclusianone
InChIKey KLFBRRJTELLZLW-RMKGZORESA-N
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