5-Methoxyxanthocercin A

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Properties Simple | Detailed

Formula C28H26O11
IUPAC Name (2r,3r)-8-(6,7-dihydro-4h-1,3-benzodioxole-4,6,7-triid-5-yl)-3-[3,5-di(methoxy)-4-oxo-cyclohexa-2,5-dien-1-yl]-2-(hydroxymethyl)-5-methoxy-2,3-dihydropyrano[3,2-h][1,4]benzodioxin-7-one
Molecular Mass 538.499 g·mol−1
Heat of Formation -1395.4 ± 16.7 kJ·mol−1
Dipole Moment 2.43 ± 1.08 D
Volume 586.05 Å 3
Surface Area 511.27 Å 2
HOMO Energy -8.53 ± 0.55 eV
LUMO Energy -0.78 ± eV
Point Group Symmetry C1
Synonyms
  • (2r,3r)-3-(4-hydroxy-3,5-dimethoxy-phenyl)-8-(3-hydroxy-4-methoxy-phenyl)-2-(hydroxymethyl)-5-methoxy-2,3-dihydropyrano[3,2-h][1,4]benzodioxin-7-one
  • (2r,3r)-3-(4-hydroxy-3,5-dimethoxy-phenyl)-8-(3-hydroxy-4-methoxy-phenyl)-5-methoxy-2-methylol-2,3-dihydropyrano[3,2-h][1,4]benzodioxin-7-one
  • (2r,3r)-3-(4-hydroxy-3,5-dimethoxyphenyl)-8-(3-hydroxy-4-methoxyphenyl)-2-(hydroxymethyl)-5-methoxy-2,3-dihydropyrano[3,2-h][1,4]benzodioxin-7-one
InChIKey PDFRGLKIUUWXHS-RCZVLFRGSA-N
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