9-(1,3-Benzodioxol-5-Yl)-4-{[(2S,3R,4R)-3,4-Dihydroxy-4-(Hydroxymethyl)Tetrahydro-2-Furanyl]Oxy}-6,7-Dimethoxynaphtho[2,3-C]Furan-1(3H)-One

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Properties Simple | Detailed

Formula C26H24O11
IUPAC Name 9-(1,3-benzodioxol-5-yl)-4-[(2s,3r,4r)-3,4-dihydroxy-4-(hydroxymethyl)tetrahydrofuran-2-yl]oxy-6,7-dimethoxy-3h-benzo[f]isobenzofuran-1-one
Molecular Mass 512.462 g·mol−1
Heat of Formation -1503.2 ± 16.7 kJ·mol−1
Dipole Moment 8.89 ± 1.08 D
Volume 556.76 Å 3
Surface Area 456.03 Å 2
HOMO Energy -8.79 ± 0.55 eV
LUMO Energy -1.03 ± eV
Point Group Symmetry C1
Synonyms
  • 4-(1,3-benzodioxol-5-yl)-9-[(2s,3r,4r)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-6,7-dimethoxy-1h-benzo[f][2]benzoxol-3-one
  • 4-(1,3-benzodioxol-5-yl)-9-[(2s,3r,4r)-3,4-dihydroxy-4-(hydroxymethyl)tetrahydrofuran-2-yl]oxy-6,7-dimethoxy-1h-benzo[f]isobenzofuran-3-one
  • 4-(1,3-benzodioxol-5-yl)-9-[(2s,3r,4r)-3,4-dihydroxy-4-methylol-tetrahydrofuran-2-yl]oxy-6,7-dimethoxy-1h-benzo[f]isobenzofuran-3-one
  • 4-(1,3-benzodioxol-5-yl)-9-[[(2s,3r,4r)-3,4-dihydroxy-4-(hydroxymethyl)-2-tetrahydrofuranyl]oxy]-6,7-dimethoxy-1h-benzo[f]isobenzofuran-3-one
InChIKey XIARCTMJGANPJU-AYRHNUGRSA-N
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