5,9,10-Trihydroxy-2,2-Dimethyl-12-(2-Methyl-3-Buten-2-Yl)-2H,6H-Pyrano[3,2-B]Xanthen-6-One

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Properties Simple | Detailed

Formula C23H22O6
IUPAC Name 12-(1,1-dimethylallyl)-5,9,10-trihydroxy-2,2-dimethyl-pyrano[3,2-b]xanthen-6-one
Molecular Mass 394.417 g·mol−1
Heat of Formation -783.2 ± 16.7 kJ·mol−1
Dipole Moment 4.50 ± 1.08 D
Volume 450.13 Å 3
Surface Area 363.2 Å 2
HOMO Energy -8.76 ± 0.55 eV
LUMO Energy -0.62 ± eV
Point Group Symmetry C1
Synonyms
  • 12-(1,1-dimethylprop-2-enyl)-5,9,10-trihydroxy-2,2-dimethyl-6-pyrano[5,6-b]xanthenone
  • 12-(1,1-dimethylprop-2-enyl)-5,9,10-trihydroxy-2,2-dimethyl-pyrano[5,6-b]xanthen-6-one
  • 2h,6h-pyrano(3,2-b)xanthen-6-one, 12-(1,1-dimethyl-2-propenyl)-5,9,10-trihydroxy-2,2-dimethyl-
  • 5,9,10-trihydroxy-2,2-dimethyl-12-(2-methylbut-3-en-2-yl)pyrano[5,6-b]xanthen-6-one
  • macluraxanthone
CAS Number(s)
  • 5848-14-6
InChIKey XRVLGJCHUWXTDX-UHFFFAOYSA-N
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