2-(1,1-Dimethyl-Allyl)-1,3,5,6-Tetrahydroxy-4-(3-Methyl-But-2-Enyl)-Xanthen-9-One

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Properties Simple | Detailed

Formula C23H25O6+
IUPAC Name 2-(1,1-dimethylallyl)-1,3,5,6-tetrahydroxy-4-(3-methylbut-2-enyl)xanthen-9-one
Molecular Mass 397.441 g·mol−1
Heat of Formation -874.8 ± 16.7 kJ·mol−1
Dipole Moment 5.12 ± 1.08 D
Volume 458.39 Å 3
Surface Area 392.14 Å 2
HOMO Energy -8.88 ± 0.55 eV
LUMO Energy -0.91 ± eV
Point Group Symmetry C1
Synonyms
  • 1,3,5,6-tetrahydroxy-2-(2-methylbut-3-en-2-yl)-4-(3-methylbut-2-enyl)xanthen-9-one
  • 2-(1,1-dimethylprop-2-enyl)-1,3,5,6-tetrahydroxy-4-(3-methylbut-2-enyl)-9-xanthenone
  • 2-(1,1-dimethylprop-2-enyl)-1,3,5,6-tetrahydroxy-4-(3-methylbut-2-enyl)xanthen-9-one
  • 2-(1,1-dimethylprop-2-enyl)-1,3,5,6-tetrahydroxy-4-(3-methylbut-2-enyl)xanthone
  • chloroxanthone b
  • macluraxanthone c
InChIKey INSDJDFCZJWKAI-UHFFFAOYSA-N
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