(2R,6E)-2-[(2E)-3,7-Dimethyl-2,6-Octadien-1-Yl]-5-Hydroxy-6-[Hydroxy(Phenyl)Methylene]-2,4-Bis(3-Methyl-2-Buten-1-Yl)-4-Cyclohexene-1,3-Dione

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Properties Simple | Detailed

Formula C30H14O4
IUPAC Name (2r,6e)-2-[(2e)-3,7-dimethylocta-2,6-dienyl]-5-hydroxy-6-(hydroxy-phenylmethylidene)-2,4-bis(3-methylbut-2-enyl)cyclohex-4-ene-1,3-dione
Molecular Mass 438.430 g·mol−1
Heat of Formation -648.3 ± 16.7 kJ·mol−1
Dipole Moment 6.98 ± 1.08 D
Volume 658.51 Å 3
Surface Area 448.77 Å 2
HOMO Energy -8.70 ± 0.55 eV
LUMO Energy 1.98 ± eV
Point Group Symmetry C1
Synonyms
  • (2r,6e)-2-[(2e)-3,7-dimethylocta-2,6-dienyl]-5-hydroxy-6-(hydroxy-phenyl-methylene)-2,4-bis(3-methylbut-2-enyl)cyclohex-4-ene-1,3-dione
  • (2r,6e)-2-[(2e)-3,7-dimethylocta-2,6-dienyl]-5-hydroxy-6-(hydroxy-phenyl-methylene)-2,4-bis(3-methylbut-2-enyl)cyclohex-4-ene-1,3-quinone
  • (2r,6e)-2-[(2e)-3,7-dimethylocta-2,6-dienyl]-5-hydroxy-6-(hydroxy-phenyl-methylidene)-2,4-bis(3-methylbut-2-enyl)cyclohex-4-ene-1,3-dione
  • (2r,6e)-2-[(2e)-3,7-dimethylocta-2,6-dienyl]-5-hydroxy-6-(hydroxy-phenylmethylene)-2,4-bis(3-methylbut-2-enyl)cyclohex-4-ene-1,3-dione
  • kolanone
CAS Number(s)
  • 81827-55-6
InChIKey CXUWMKJZOJXGIU-VFJUAXEESA-N
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