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}-2-(3-Methyl-2-Buten-1-Yl)-1,3-Benzenediol

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Formula C30H38O5
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-(3-methylbut-2-enyl)benzene-1,3-diol
Molecular Mass 478.620 g·mol−1
Heat of Formation -824.3 ± 16.7 kJ·mol−1
Dipole Moment 5.22 ± 1.08 D
Volume 593.38 Å 3
Surface Area 495.54 Å 2
HOMO Energy -8.26 ± 0.55 eV
LUMO Energy 2.48 ± 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-(3-methylbut-2-enyl)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-(3-methylbut-2-enyl)resorcinol
InChIKey BUFNPAYKUGAAAO-HLULBIOLSA-N
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