3,7,8-Trihydroxy-5,10-Dioxo-5,10-Dihydrochromeno[5,4,3-Cde]Chromen-2-Yl β-D-Xylopyranoside

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Properties Simple | Detailed

Formula C19H14O12
IUPAC Name 6,7,14-trihydroxy-13-[(2s,3r,4s,5r)-3,4,5-trihydroxytetrahydropyran-2-yl]oxy-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 434.307 g·mol−1
Heat of Formation -1812.4 ± 16.7 kJ·mol−1
Dipole Moment 4.21 ± 1.08 D
Volume 426.8 Å 3
Surface Area 371.48 Å 2
HOMO Energy -9.32 ± 0.55 eV
LUMO Energy 2.25 ± eV
Point Group Symmetry C1
Synonyms
  • (1)benzopyrano(5,4,3-cde)(1)benzopyran-5,10-dione, 2,3,8-trihydroxy-7-(beta-d-xylopyranosyloxy)-
  • eabxp
  • ellagic acid 4-o-xylopyranoside
  • ellagic acid-4-o-beta-d-xylopyranoside
CAS Number(s)
  • 139163-18-1
InChIKey KNURQRIPZJJYQO-PJIMMEPBSA-N
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