(3Z)-3-[(3,4-Dihydroxyphenyl)(Hydroxy)Methylene]-1-(2-Isopropenyl-5-Methyl-5-Hexen-1-Yl)-6,6-Dimethyl-5,7-Bis(3-Methyl-2-Buten-1-Yl)Bicyclo[3.3.1]Nonane-2,4,9-Trione

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Properties Simple | Detailed

Formula C38H50O6
IUPAC Name 4-[(z)-[(1r,5s,7r)-6,6-dimethyl-5,7-bis(3-methylbut-2-enyl)-1-[(2s)-5-methyl-2-(1-methylvinyl)hex-5-enyl]-2,4,9-trioxo-3-bicyclo[3.3.1]nonanylidene]-oxido-methyl]benzene-3,5,6-triide-1,2-diolate
Molecular Mass 602.800 g·mol−1
Heat of Formation -1024.2 ± 16.7 kJ·mol−1
Dipole Moment 5.96 ± 1.08 D
Volume 780.75 Å 3
Surface Area 536.71 Å 2
HOMO Energy -9.06 ± 0.55 eV
LUMO Energy 2.17 ± eV
Point Group Symmetry C1
InChIKey TZZQZCIACNYHBG-RLWCYYKNSA-N
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Elements H C O