5,7-Diacetyl-6-(5-Carboxy-6,7-Dihydroxy-4-Oxo-4H-Chromen-3-Yl)-2,3-Dihydroxy-9-Oxo-9H-Xanthene-1-Carboxylic Acid

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Properties Simple | Detailed

Formula C28H16O14
IUPAC Name 5,7-diacetyl-6-(5-carboxy-6,7-dihydroxy-4-oxo-chromen-3-yl)-2,3-dihydroxy-9-oxo-xanthene-1-carboxylic acid
Molecular Mass 576.418 g·mol−1
Heat of Formation -2001.9 ± 16.7 kJ·mol−1
Dipole Moment 6.51 ± 1.08 D
Volume 585.21 Å 3
Surface Area 474.6 Å 2
HOMO Energy -9.32 ± 0.55 eV
LUMO Energy -1.56 ± eV
Point Group Symmetry C1
Synonyms
  • 411f
  • 5,7-diacetyl-6-(5-carboxy-6,7-dihydroxy-4-keto-chromen-3-yl)-2,3-dihydroxy-9-keto-xanthene-1-carboxylic acid
  • 5,7-diacetyl-6-(5-carboxy-6,7-dihydroxy-4-oxo-3-chromenyl)-2,3-dihydroxy-9-oxo-1-xanthenecarboxylic acid
  • 5,7-diacetyl-6-(5-carboxy-6,7-dihydroxy-4-oxochromen-3-yl)-2,3-dihydroxy-9-oxoxanthene-1-carboxylic acid
  • 6-(5-carboxy-6,7-dihydroxy-4-oxo-chromen-3-yl)-5,7-diethanoyl-2,3-dihydroxy-9-oxo-xanthene-1-carboxylic acid
  • 9h-xanthene-1-carboxylic acid, 5,7-diacetyl-6-(5-carboxy-6,7-dihydroxy-4-oxo-4h-1-benzopyran-3-yl)-2,3-dihydroxy-9-oxo-
  • vinaxanthone
CAS Number(s)
  • 133293-89-7
InChIKey MEYYEMQDVMMNNR-UHFFFAOYSA-N
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