Helonioside A

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Formula C32H38O17
IUPAC Name [(2r,3r,4s,5s)-3-hydroxy-4-[(e)-3-(4-hydroxy-3-methoxy-phenyl)prop-2-enoyl]oxy-5-(hydroxymethyl)-5-[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-tetrahydrofuran-2-yl]methyl (e)-3-(4-hydroxy-3-methoxy-phenyl)prop-2-enoate
Molecular Mass 694.634 g·mol−1
Heat of Formation -2785.6 ± 16.7 kJ·mol−1
Dipole Moment 5.43 ± 1.08 D
Volume 763.78 Å 3
Surface Area 501.09 Å 2
HOMO Energy -8.59 ± 0.55 eV
LUMO Energy -0.57 ± eV
Point Group Symmetry C1
Synonyms
  • (e)-3-(4-hydroxy-3-methoxy-phenyl)acrylic acid [(2s,3s,4r,5r)-4-hydroxy-5-[[(e)-3-(4-hydroxy-3-methoxy-phenyl)acryloyl]oxymethyl]-2-methylol-2-[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-tetrahydrofuran-3-yl] ester
  • (e)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic acid [(2s,3s,4r,5r)-4-hydroxy-5-[[(e)-3-(4-hydroxy-3-methoxyphenyl)-1-oxoprop-2-enoxy]methyl]-2-(hydroxymethyl)-2-[[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]-3-tetrahydrofuranyl] ester
  • [(2s,3s,4r,5r)-4-hydroxy-5-[[(e)-3-(4-hydroxy-3-methoxy-phenyl)prop-2-enoyl]oxymethyl]-2-(hydroxymethyl)-2-[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-oxolan-3-yl] (e)-3-(4-hydroxy-3-methoxy-phenyl)prop-2-enoate
  • [(2s,3s,4r,5r)-4-hydroxy-5-[[(e)-3-(4-hydroxy-3-methoxy-phenyl)prop-2-enoyl]oxymethyl]-2-(hydroxymethyl)-2-[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-tetrahydrofuran-3-yl] (e)-3-(4-hydroxy-3-methoxy-phenyl)prop-2-enoate
  • [(2s,3s,4r,5r)-4-hydroxy-5-[[(e)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxymethyl]-2-(hydroxymethyl)-2-[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxolan-3-yl] (e)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
InChIKey ZPIDHNQIWCJXAS-SOUWYMHNSA-N
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