(1R,3E,5S,6S,7R)-3-[(3,4-Dihydroxyphenyl)(Hydroxy)Methylene]-6-Methyl-1,5,7-Tris(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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Formula C38H50O6
IUPAC Name 4-[(e)-hydroxy-[(1r,5s,6s,7r)-6-methyl-1,5,7-tris(3-methylbut-2-enyl)-6-(4-methylpent-3-enyl)-2,4,9-trioxo-3-bicyclo[3.3.1]nonanylidene]methyl]benzene-3,5,6-triide-1,2-diolate
Molecular Mass 602.800 g·mol−1
Heat of Formation -1083.9 ± 16.7 kJ·mol−1
Dipole Moment 2.07 ± 1.08 D
Volume 778.65 Å 3
Surface Area 537.26 Å 2
HOMO Energy -8.87 ± 0.55 eV
LUMO Energy 2.31 ± eV
Point Group Symmetry C1
Synonyms
  • (1s,3e,5r,7r,8s)-3-[(3,4-dihydroxyphenyl)-hydroxy-methylene]-8-methyl-1,5,7-tris(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]-8-methyl-1,5,7-tris(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]-8-methyl-1,5,7-tris(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)-hydroxymethylidene]-8-methyl-1,5,7-tris(3-methylbut-2-enyl)-8-(4-methylpent-3-enyl)bicyclo[3.3.1]nonane-2,4,9-trione
InChIKey SHBMQWRFQJLYJU-POFQJADXSA-N
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