2,6,7-Trimethoxy-5,10-Dioxo-5,10-Dihydrochromeno[5,4,3-Cde]Chromen-1-Yl β-D-Glucopyranoside

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Formula C23H22O13
IUPAC Name 5,6,13-trimethoxy-12-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-2,9-dioxatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),4(16),5,7,11(15),12-hexaene-3,10-dione
Molecular Mass 506.413 g·mol−1
Heat of Formation -1931.4 ± 16.7 kJ·mol−1
Dipole Moment 1.68 ± 1.08 D
Volume 524.21 Å 3
Surface Area 414.23 Å 2
HOMO Energy -8.60 ± 0.55 eV
LUMO Energy -1.59 ± eV
Point Group Symmetry C1
Synonyms
  • (1)benzopyrano(5,4,3-cde)(1)benzopyran-5,10-dione, 1-(beta-d-glucopyranosyloxy)-2,6,7-trimethoxy-
  • 3,7,8-tri-o-methylellagic acid 4-glucoside
  • tmeag
CAS Number(s)
  • 114942-09-5
InChIKey GTSLCJJADQBPEM-WBKKLFQOSA-N
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