2,3,6,8-Tetrahydroxy-5-(2-Methyl-3-Buten-2-Yl)-1-(3-Methyl-2-Buten-1-Yl)-9H-Xanthen-9-One

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Properties Simple | Detailed

Formula C23H24O6
IUPAC Name 5-(1,1-dimethylallyl)-2,3,6,8-tetrahydroxy-1-(3-methylbut-2-enyl)xanthen-9-one
Molecular Mass 396.433 g·mol−1
Heat of Formation -890.0 ± 16.7 kJ·mol−1
Dipole Moment 1.08 ± 1.08 D
Volume 459.74 Å 3
Surface Area 385.52 Å 2
HOMO Energy -8.81 ± 0.55 eV
LUMO Energy -0.86 ± eV
Point Group Symmetry C1
Synonyms
  • 2,3,6,8-tetrahydroxy-5-(2-methylbut-3-en-2-yl)-1-(3-methylbut-2-enyl)xanthen-9-one
  • 5-(1,1-dimethylprop-2-enyl)-2,3,6,8-tetrahydroxy-1-(3-methylbut-2-enyl)-9-xanthenone
  • 5-(1,1-dimethylprop-2-enyl)-2,3,6,8-tetrahydroxy-1-(3-methylbut-2-enyl)xanthen-9-one
  • 5-(1,1-dimethylprop-2-enyl)-2,3,6,8-tetrahydroxy-1-(3-methylbut-2-enyl)xanthone
InChIKey FUEJTEBWTNXAPG-UHFFFAOYSA-N
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