[(3S,4R,5S)-5-{[9-(1,3-Benzodioxol-5-Yl)-6,7-Dimethoxy-1-Oxo-1,3-Dihydronaphtho[2,3-C]Furan-4-Yl]Oxy}-3,4-Dihydroxytetrahydro-3-Furanyl]Methyl Acetate

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Properties Simple | Detailed

Formula C28H26O12
IUPAC Name [(3s,4r,5s)-5-[[9-(6,7-dihydro-4h-1,3-benzodioxole-4,6,7-triid-5-yl)-1-oxo-6,7-dihydro-3h-benzo[f]isobenzofuran-6,7-diid-4-yl]oxy]-3,4-dihydroxy-tetrahydrofuran-3-yl]methyl acetate; methanone
Molecular Mass 554.499 g·mol−1
Heat of Formation -1706.3 ± 16.7 kJ·mol−1
Dipole Moment 4.47 ± 1.08 D
Volume 602.64 Å 3
Surface Area 495.77 Å 2
HOMO Energy -8.82 ± 0.55 eV
LUMO Energy 2.03 ± eV
Point Group Symmetry C1
Synonyms
  • [(3s,4r,5s)-5-[[4-(1,3-benzodioxol-5-yl)-6,7-dimethoxy-3-oxo-1h-benzo[f][2]benzoxol-9-yl]oxy]-3,4-dihydroxy-oxolan-3-yl]methyl ethanoate
  • [(3s,4r,5s)-5-[[4-(1,3-benzodioxol-5-yl)-6,7-dimethoxy-3-oxo-1h-benzo[f][2]benzoxol-9-yl]oxy]-3,4-dihydroxyoxolan-3-yl]methyl acetate
  • [(3s,4r,5s)-5-[[4-(1,3-benzodioxol-5-yl)-6,7-dimethoxy-3-oxo-1h-benzo[f]isobenzofuran-9-yl]oxy]-3,4-dihydroxy-tetrahydrofuran-3-yl]methyl acetate
  • acetic acid [(3s,4r,5s)-5-[[4-(1,3-benzodioxol-5-yl)-3-keto-6,7-dimethoxy-1h-benzo[f]isobenzofuran-9-yl]oxy]-3,4-dihydroxy-tetrahydrofuran-3-yl]methyl ester
  • acetic acid [(3s,4r,5s)-5-[[4-(1,3-benzodioxol-5-yl)-6,7-dimethoxy-3-oxo-1h-benzo[f]isobenzofuran-9-yl]oxy]-3,4-dihydroxy-3-tetrahydrofuranyl]methyl ester
InChIKey UOOSHUGMIURKRC-RZDMPUFOSA-N
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