Hibifolin

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Formula C21H18O14
IUPAC Name (2s,3s,4s,5r,6s)-6-[2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4-oxo-chromen-8-yl]oxy-3,4,5-trihydroxy-tetrahydropyran-2-carboxylic acid
Molecular Mass 494.359 g·mol−1
Heat of Formation -2196.4 ± 16.7 kJ·mol−1
Dipole Moment 3.00 ± 1.08 D
Volume 501.49 Å 3
Surface Area 403.71 Å 2
HOMO Energy -8.74 ± 0.55 eV
LUMO Energy -1.15 ± eV
Point Group Symmetry C1
Synonyms
  • (2s,3s,4s,5r,6s)-6-[2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4-keto-chromen-8-yl]oxy-3,4,5-trihydroxy-tetrahydropyran-2-carboxylic acid
  • (2s,3s,4s,5r,6s)-6-[2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4-oxo-chromen-8-yl]oxy-3,4,5-trihydroxy-oxane-2-carboxylic acid
  • (2s,3s,4s,5r,6s)-6-[2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4-oxo-chromen-8-yl]oxy-3,4,5-trihydroxy-tetrahydropyran-2-carboxylic acid
  • (2s,3s,4s,5r,6s)-6-[2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4-oxochromen-8-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
  • (2s,3s,4s,5r,6s)-6-[[2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4-oxo-8-chromenyl]oxy]-3,4,5-trihydroxy-2-tetrahydropyrancarboxylic acid
  • beta-d-glucopyranosiduronic acid, 2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4-oxo-4h-1-benzopyran-8-yl
CAS Number(s)
  • 55366-56-8
InChIKey KHVMAMXQPVHXTJ-ORYXKJSJSA-N
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