1,3,6,7-Tetrahydroxy-2-(2-Methyl-3-Buten-2-Yl)-5-(3-Methyl-2-Buten-1-Yl)-9H-Xanthen-9-One

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Properties Simple | Detailed

Formula C23H24O6
IUPAC Name 2-(1,1-dimethylallyl)-1,3,6,7-tetrahydroxy-5-(3-methylbut-2-enyl)xanthen-9-one
Molecular Mass 396.433 g·mol−1
Heat of Formation -885.3 ± 16.7 kJ·mol−1
Dipole Moment 4.49 ± 1.08 D
Volume 462.62 Å 3
Surface Area 385.1 Å 2
HOMO Energy -8.92 ± 0.55 eV
LUMO Energy -0.92 ± eV
Point Group Symmetry C1
Synonyms
  • 1,3,6,7-tetrahydroxy-2-(2-methylbut-3-en-2-yl)-5-(3-methylbut-2-enyl)xanthen-9-one
  • 2-(1,1-dimethylprop-2-enyl)-1,3,6,7-tetrahydroxy-5-(3-methylbut-2-enyl)-9-xanthenone
  • 2-(1,1-dimethylprop-2-enyl)-1,3,6,7-tetrahydroxy-5-(3-methylbut-2-enyl)xanthen-9-one
  • 2-(1,1-dimethylprop-2-enyl)-1,3,6,7-tetrahydroxy-5-(3-methylbut-2-enyl)xanthone
InChIKey LVKPSBFBKBJJOB-UHFFFAOYSA-N
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