2-(1,1-Dimethyl-Allyl)-1,3,6,7-Tetrahydroxy-4-(3-Methyl-But-2-Enyl)-Xanthen-9-One

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Properties Simple | Detailed

Formula C23H24O6
IUPAC Name 2-(1,1-dimethylallyl)-1,3,6,7-tetrahydroxy-4-(3-methylbut-2-enyl)xanthen-9-one
Molecular Mass 396.433 g·mol−1
Heat of Formation -877.8 ± 16.7 kJ·mol−1
Dipole Moment 4.94 ± 1.08 D
Volume 460.93 Å 3
Surface Area 387.59 Å 2
HOMO Energy -8.87 ± 0.55 eV
LUMO Energy -0.99 ± eV
Point Group Symmetry C1
Synonyms
  • 1,3,6,7-tetrahydroxy-2-(2-methylbut-3-en-2-yl)-4-(3-methylbut-2-enyl)xanthen-9-one
  • 2-(1,1-dimethylprop-2-enyl)-1,3,6,7-tetrahydroxy-4-(3-methylbut-2-enyl)-9-xanthenone
  • 2-(1,1-dimethylprop-2-enyl)-1,3,6,7-tetrahydroxy-4-(3-methylbut-2-enyl)xanthen-9-one
  • 2-(1,1-dimethylprop-2-enyl)-1,3,6,7-tetrahydroxy-4-(3-methylbut-2-enyl)xanthone
  • chloroxanthone a
  • macluraxanthone b
InChIKey QFYDCUMYVXSZFJ-UHFFFAOYSA-N
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