3-{2-(3,4-Dihydroxyphenyl)-6-[(E)-2-(3,4-Dihydroxyphenyl)Vinyl]-4-Oxo-4H-Furo[3,2-C]Pyran-3-Yl}-8,9-Dihydroxy-1H,6H-Pyrano[4,3-C]Isochromene-1,6-Dione

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Formula C33H18O13
IUPAC Name 3-[2-(4,5-dioxocyclohex-2-en-1-yl)-6-[2-(4,5-dioxocyclohex-2-en-1-yl)ethynyl]-4-oxo-furo[3,2-c]pyran-3-yl]-4h-pyrano[4,3-c]isochromene-3,4,4a,10b-tetraide-1,6,8,9-tetrone
Molecular Mass 622.488 g·mol−1
Heat of Formation -1558.6 ± 16.7 kJ·mol−1
Dipole Moment 4.61 ± 1.08 D
Volume 640.78 Å 3
Surface Area 551.87 Å 2
HOMO Energy -8.73 ± 0.55 eV
LUMO Energy -1.86 ± eV
Point Group Symmetry C1
Synonyms
  • 3-[2-(3,4-dihydroxyphenyl)-6-[(e)-2-(3,4-dihydroxyphenyl)ethenyl]-4-oxo-furo[4,5-c]pyran-3-yl]-8,9-dihydroxy-pyrano[4,3-c]isochromene-1,6-dione
  • 3-[2-(3,4-dihydroxyphenyl)-6-[(e)-2-(3,4-dihydroxyphenyl)ethenyl]-4-oxofuro[4,5-c]pyran-3-yl]-8,9-dihydroxypyrano[4,3-c]isochromene-1,6-dione
  • 3-[2-(3,4-dihydroxyphenyl)-6-[(e)-2-(3,4-dihydroxyphenyl)vinyl]-4-keto-furo[4,5-c]pyran-3-yl]-8,9-dihydroxy-pyrano[4,3-c]isochromene-1,6-quinone
  • 3-[2-(3,4-dihydroxyphenyl)-6-[(e)-2-(3,4-dihydroxyphenyl)vinyl]-4-oxo-3-furo[4,5-c]pyranyl]-8,9-dihydroxypyrano[4,3-c]isochromene-1,6-dione
  • 3-[2-(3,4-dihydroxyphenyl)-6-[(e)-2-(3,4-dihydroxyphenyl)vinyl]-4-oxo-furo[4,5-c]pyran-3-yl]-8,9-dihydroxy-pyrano[4,3-c]isochromene-1,6-dione
InChIKey PGRXQKVGAJTEBU-DAFODLJHSA-N
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