2-Hydroxy-3,7,8-Trimethoxychromeno[5,4,3-Cde]Chromene-5,10-Dione

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Properties Simple | Detailed

Formula C17H12O8
IUPAC Name 6-hydroxy-7,13,14-trimethoxy-2,9-dioxatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),4,6,8(16),11,13-hexaene-3,10-dione
Molecular Mass 344.272 g·mol−1
Heat of Formation -1026.5 ± 16.7 kJ·mol−1
Dipole Moment 4.85 ± 1.08 D
Volume 349.33 Å 3
Surface Area 313.21 Å 2
HOMO Energy -8.93 ± 0.55 eV
LUMO Energy 1.51 ± eV
Point Group Symmetry C1
Synonyms
  • (1)benzopyrano(5,4,3-cde)(1)benzopyran-5,10-dione, 2-hydroxy-3,7,8-trimethoxy-
  • 3,3',4-o-trimethylellagic acid
  • 3,3',4-tri-o-methyl ellagic acid
  • 3,4,3'-tri-o-methylellagic acid
  • 3,7,8-tri-o-methylellagic acid
  • ellagic acid, 3,3',4-tri-o-methyl
CAS Number(s)
  • 124590-38-1
  • 5145-53-9
  • 1617-49-8
InChIKey LXEQIOGTMDLLEC-UHFFFAOYSA-N
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