9-(1,3-Benzodioxol-5-Yl)-6,7-Dimethoxy-1-Oxo-1,3-Dihydronaphtho[2,3-C]Furan-4-Yl 6-Deoxy-β-D-Glucopyranoside

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Properties Simple | Detailed

Formula C27H26O11
IUPAC Name 9-(1,3-benzodioxol-5-yl)-6,7-dimethoxy-4-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-3h-benzo[f]isobenzofuran-1-one
Molecular Mass 526.489 g·mol−1
Heat of Formation -1538.9 ± 16.7 kJ·mol−1
Dipole Moment 5.78 ± 1.08 D
Volume 574.27 Å 3
Surface Area 467.55 Å 2
HOMO Energy -8.84 ± 0.55 eV
LUMO Energy 1.92 ± eV
Point Group Symmetry C1
Synonyms
  • 4-(1,3-benzodioxol-5-yl)-6,7-dimethoxy-9-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-methyl-oxan-2-yl]oxy-1h-benzo[f][2]benzoxol-3-one
  • 4-(1,3-benzodioxol-5-yl)-6,7-dimethoxy-9-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-1h-benzo[f]isobenzofuran-3-one
  • 4-(1,3-benzodioxol-5-yl)-6,7-dimethoxy-9-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-1h-benzo[f][2]benzoxol-3-one
  • 4-(1,3-benzodioxol-5-yl)-6,7-dimethoxy-9-[[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-methyl-2-tetrahydropyranyl]oxy]-1h-benzo[f]isobenzofuran-3-one
InChIKey NLWUWPJUIJTHAN-ZWQUELFCSA-N
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