5,7-Dihydroxy-2-[(2R,3R)-3-{4-Hydroxy-3-[(1Z)-3-Hydroxy-1-(4-Hydroxy-3-Methoxyphenyl)-1-Propen-2-Yl]-5-Methoxyphenyl}-2-(Hydroxymethyl)-2,3-Dihydro-1,4-Benzodioxin-6-Yl]-4H-Chromen-4-One

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Properties Simple | Detailed

Formula C35H30O12
IUPAC Name 5,7-dihydroxy-2-[(2r,3r)-3-[4-hydroxy-3-[(z)-2-(4-hydroxy-3-methoxy-phenyl)-1-(hydroxymethyl)vinyl]-5-methoxy-phenyl]-2-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]chromen-4-one
Molecular Mass 642.605 g·mol−1
Heat of Formation -1575.0 ± 16.7 kJ·mol−1
Dipole Moment 3.66 ± 1.08 D
Volume 709.6 Å 3
Surface Area 605.4 Å 2
HOMO Energy -8.77 ± 0.55 eV
LUMO Energy 1.89 ± eV
Point Group Symmetry C1
Synonyms
  • 5,7-dihydroxy-2-[(2r,3r)-2-[4-hydroxy-3-[(z)-2-(4-hydroxy-3-methoxy-phenyl)-1-(hydroxymethyl)vinyl]-5-methoxy-phenyl]-3-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-7-yl]chromen-4-one
  • 5,7-dihydroxy-2-[(2r,3r)-2-[4-hydroxy-3-[(z)-2-(4-hydroxy-3-methoxy-phenyl)-1-methylol-vinyl]-5-methoxy-phenyl]-3-methylol-2,3-dihydro-1,4-benzodioxin-7-yl]chromone
  • 5,7-dihydroxy-2-[(2r,3r)-2-[4-hydroxy-3-[(z)-2-(4-hydroxy-3-methoxyphenyl)-1-(hydroxymethyl)vinyl]-5-methoxyphenyl]-3-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-7-yl]-4-chromenone
  • 5,7-dihydroxy-2-[(2r,3r)-2-[4-hydroxy-3-[(z)-3-hydroxy-1-(4-hydroxy-3-methoxy-phenyl)prop-1-en-2-yl]-5-methoxy-phenyl]-3-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-7-yl]chromen-4-one
  • 5,7-dihydroxy-2-[(2r,3r)-2-[4-hydroxy-3-[(z)-3-hydroxy-1-(4-hydroxy-3-methoxyphenyl)prop-1-en-2-yl]-5-methoxyphenyl]-3-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-7-yl]chromen-4-one
InChIKey KMYJDVOGPCWOTR-UDJTZZNJSA-N
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