2-[(2E)-3,7-Dimethyl-2,6-Octadien-1-Yl]-5-{(E)-2-[(2R,4Ar,9Ar)-2-Hydroxy-5-Methoxy-1,1,4A-Trimethyl-2,3,4,4A,9,9A-Hexahydro-1H-Xanthen-7-Yl]Vinyl}-1,3-Benzenediol

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Properties Simple | Detailed

Formula C35H46O5
IUPAC Name 5-[(e)-2-[(7r,8ar,10ar)-7-hydroxy-4-methoxy-8,8,10a-trimethyl-6,7,8a,9-tetrahydro-5h-xanthen-2-yl]vinyl]-2-[(2e)-3,7-dimethylocta-2,6-dienyl]benzene-1,3-diol
Molecular Mass 546.737 g·mol−1
Heat of Formation -855.8 ± 16.7 kJ·mol−1
Dipole Moment 1.77 ± 1.08 D
Volume 704.59 Å 3
Surface Area 578.66 Å 2
HOMO Energy -8.17 ± 0.55 eV
LUMO Energy -0.55 ± eV
Point Group Symmetry C1
Synonyms
  • 5-[(e)-2-[(7r,8ar,10ar)-7-hydroxy-4-methoxy-8,8,10a-trimethyl-6,7,8a,9-tetrahydro-5h-xanthen-2-yl]vinyl]-2-[(2e)-3,7-dimethylocta-2,6-dienyl]benzene-1,3-diol
  • 5-[(e)-2-[(7r,8ar,10ar)-7-hydroxy-4-methoxy-8,8,10a-trimethyl-6,7,8a,9-tetrahydro-5h-xanthen-2-yl]vinyl]-2-[(2e)-3,7-dimethylocta-2,6-dienyl]resorcinol
InChIKey KFXCPWWUGCRWRS-KFNWDQBUSA-N
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