1-O-[3-(Acetoxymethyl)-1-(1,3-Benzodioxol-5-Yl)-6,7-Dimethoxy-2-Naphthoyl]-β-D-Glucopyranose

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Properties Simple | Detailed

Formula C29H32O13
IUPAC Name [(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl] 3-(acetyloxymethyl)-1-(6,7-dihydro-1,3-benzodioxole-6,7-diid-5-yl)-6,7-di(methoxy)-4,8-dihydronaphthalene-4,8-diide-2-carboxylate
Molecular Mass 588.557 g·mol−1
Heat of Formation -2023.0 ± 16.7 kJ·mol−1
Dipole Moment 8.17 ± 1.08 D
Volume 640.17 Å 3
Surface Area 480.13 Å 2
HOMO Energy -8.85 ± 0.55 eV
LUMO Energy 2.10 ± eV
Point Group Symmetry C1
Synonyms
  • 3-(acetoxymethyl)-1-(1,3-benzodioxol-5-yl)-6,7-dimethoxy-2-naphthalenecarboxylic acid [(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl] ester
  • 3-(acetoxymethyl)-1-(1,3-benzodioxol-5-yl)-6,7-dimethoxy-naphthalene-2-carboxylic acid [(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl] ester
  • [(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] 3-(acetyloxymethyl)-1-(1,3-benzodioxol-5-yl)-6,7-dimethoxy-naphthalene-2-carboxylate
  • [(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] 3-(acetyloxymethyl)-1-(1,3-benzodioxol-5-yl)-6,7-dimethoxynaphthalene-2-carboxylate
  • [(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl] 3-(acetoxymethyl)-1-(1,3-benzodioxol-5-yl)-6,7-dimethoxy-naphthalene-2-carboxylate
  • beta-d-glucopyranose, 1-(3-((acetyloxy)methyl)-1-(1,3-benzodioxol-5-yl)-6,7-dimethoxy-2-naphthalenecarboxylate)
  • phyllanthostatin a
CAS Number(s)
  • 119767-19-0
InChIKey KQSAUOPDQAYSSQ-GPXXLQEOSA-N
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