(1R,3E,5S,6S,7R)-3-[(3,4-Dihydroxyphenyl)(Hydroxy)Methylene]-7-[(2E)-3,7-Dimethyl-2,6-Octadien-1-Yl]-6-Methyl-1,5-Bis(3-Methyl-2-Buten-1-Yl)-6-(4-Methyl-3-Penten-1-Yl)Bicyclo[3.3.1]Nonane-2,4,9-Trione

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Properties Simple | Detailed

Formula C43H58O6
IUPAC Name (1r,3e,5s,6s,7r)-3-[(3,4-dihydroxyphenyl)-hydroxy-methylene]-7-[(2e)-3,7-dimethylocta-2,6-dienyl]-6-methyl-1,5-bis(3-methylbut-2-enyl)-6-(4-methylpent-3-enyl)bicyclo[3.3.1]nonane-2,4,9-trione
Molecular Mass 670.917 g·mol−1
Heat of Formation -1079.9 ± 16.7 kJ·mol−1
Dipole Moment 3.95 ± 1.08 D
Volume 877.04 Å 3
Surface Area 611.28 Å 2
HOMO Energy -8.88 ± 0.55 eV
LUMO Energy 2.14 ± eV
Point Group Symmetry C1
Synonyms
  • (1s,3e,5r,7r,8s)-3-[(3,4-dihydroxyphenyl)-hydroxy-methylene]-7-[(2e)-3,7-dimethylocta-2,6-dienyl]-8-methyl-1,5-bis(3-methylbut-2-enyl)-8-(4-methylpent-3-enyl)bicyclo[3.3.1]nonane-2,4,9-trione
  • (1s,3e,5r,7r,8s)-3-[(3,4-dihydroxyphenyl)-hydroxy-methylidene]-7-[(2e)-3,7-dimethylocta-2,6-dienyl]-8-methyl-1,5-bis(3-methylbut-2-enyl)-8-(4-methylpent-3-enyl)bicyclo[3.3.1]nonane-2,4,9-trione
  • (1s,3e,5r,7r,8s)-3-[(3,4-dihydroxyphenyl)-hydroxymethylene]-7-[(2e)-3,7-dimethylocta-2,6-dienyl]-8-methyl-1,5-bis(3-methylbut-2-enyl)-8-(4-methylpent-3-enyl)bicyclo[3.3.1]nonane-2,4,9-trione
InChIKey HIGOXQQRSUDJCL-OPTDVEBXSA-N
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