4-{[(2R,3R)-6-{(2R,3R)-3-[(3-Carboxypropanoyl)Oxy]-5,7-Dihydroxy-4-Oxo-3,4-Dihydro-2H-Chromen-2-Yl}-3-(4-Hydroxy-3-Methoxyphenyl)-2,3-Dihydro-1,4-Benzodioxin-2-Yl]Methoxy}-4-Oxobutanoic Acid

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Properties Simple | Detailed

Formula C33H30O16
IUPAC Name 4-[[(2r,3r)-6-[(2r,3r)-3-(3-carboxypropanoyloxy)-5,7-dihydroxy-4-oxo-chroman-2-yl]-3-(4-hydroxy-3-methoxy-phenyl)-2,3-dihydro-1,4-benzodioxin-2-yl]methoxy]-4-oxo-butanoic acid
Molecular Mass 682.582 g·mol−1
Heat of Formation 467.2 ± 16.7 kJ·mol−1
Dipole Moment 3.01 ± 1.08 D
Volume 699.58 Å 3
Surface Area 536.24 Å 2
Point Group Symmetry C1
Synonyms
  • 4-[(2r,3r)-5,7-dihydroxy-2-[(2r,3r)-2-(4-hydroxy-3-methoxy-phenyl)-3-[(4-hydroxy-4-oxo-butanoyl)oxymethyl]-2,3-dihydro-1,4-benzodioxin-7-yl]-4-oxo-chroman-3-yl]oxy-4-oxo-butanoic acid
  • 4-[(2r,3r)-5,7-dihydroxy-2-[(2r,3r)-2-(4-hydroxy-3-methoxyphenyl)-3-[(4-hydroxy-4-oxobutanoyl)oxymethyl]-2,3-dihydro-1,4-benzodioxin-7-yl]-4-oxochroman-3-yl]oxy-4-oxobutanoic acid
  • 4-[(2r,3r)-5,7-dihydroxy-2-[(2r,3r)-3-[(4-hydroxy-4-keto-butanoyl)oxymethyl]-2-(4-hydroxy-3-methoxy-phenyl)-2,3-dihydro-1,4-benzodioxin-7-yl]-4-keto-chroman-3-yl]oxy-4-keto-butyric acid
  • 4-[[(2r,3r)-5,7-dihydroxy-2-[(2r,3r)-3-[(4-hydroxy-1,4-dioxobutoxy)methyl]-2-(4-hydroxy-3-methoxyphenyl)-2,3-dihydro-1,4-benzodioxin-7-yl]-4-oxo-3-chromanyl]oxy]-4-oxobutanoic acid
InChIKey JXTPWYSSFFOISU-BMSWWXRLSA-N
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