5,9,11-Trihydroxy-3,3-Dimethyl-10-(3-Methyl-2-Buten-1-Yl)Pyrano[3,2-A]Xanthen-12(3H)-One

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Properties Simple | Detailed

Formula C23H22O6
IUPAC Name 5,9,11-trihydroxy-3,3-dimethyl-10-(3-methylbut-2-enyl)pyrano[3,2-a]xanthen-12-one
Molecular Mass 394.417 g·mol−1
Heat of Formation -832.5 ± 16.7 kJ·mol−1
Dipole Moment 2.51 ± 1.08 D
Volume 447.45 Å 3
Surface Area 393.12 Å 2
HOMO Energy -8.41 ± 0.55 eV
LUMO Energy -0.75 ± eV
Point Group Symmetry C1
Synonyms
  • 5,9,11-trihydroxy-3,3-dimethyl-10-(3-methylbut-2-enyl)-12-pyrano[5,6-a]xanthenone
  • 5,9,11-trihydroxy-3,3-dimethyl-10-(3-methylbut-2-enyl)pyrano[5,6-a]xanthen-12-one
  • pyrano[3,2-a]xanthen-12(3h)-one, 5,9,11-trihydroxy-3,3-dimethyl-10-(3-methyl-2-butenyl)-
InChIKey HVXHJNVYRXRHNX-UHFFFAOYSA-N
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