Neoeriocitrin

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Properties Simple | Detailed

Formula C27H32O15
IUPAC Name (2s)-7-[(2s,3r,4s,5s,6r)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-2-(3,4-dihydroxyphenyl)-5-hydroxy-chroman-4-one
Molecular Mass 596.534 g·mol−1
Heat of Formation -2544.2 ± 16.7 kJ·mol−1
Dipole Moment 1.95 ± 1.08 D
Volume 641.83 Å 3
Surface Area 505.99 Å 2
HOMO Energy -9.13 ± 0.55 eV
LUMO Energy -0.70 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-7-[(2s,3r,4s,5s,6r)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyl-oxan-2-yl]oxy-oxan-2-yl]oxy-2-(3,4-dihydroxyphenyl)-5-hydroxy-chroman-4-one
  • (2s)-7-[(2s,3r,4s,5s,6r)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-2-(3,4-dihydroxyphenyl)-5-hydroxy-chroman-4-one
  • (2s)-7-[(2s,3r,4s,5s,6r)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-2-(3,4-dihydroxyphenyl)-5-hydroxychroman-4-one
  • (2s)-7-[(2s,3r,4s,5s,6r)-4,5-dihydroxy-6-methylol-3-[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-2-(3,4-dihydroxyphenyl)-5-hydroxy-chroman-4-one
  • (2s)-7-[[(2s,3r,4s,5s,6r)-4,5-dihydroxy-6-(hydroxymethyl)-3-[[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyl-2-tetrahydropyranyl]oxy]-2-tetrahydropyranyl]oxy]-2-(3,4-dihydroxyphenyl)-5-hydroxy-4-chromanone
  • (s)-3',4',5,7-tetrahydroxyflavanone-7-[2-o-(alpha-l-rhamnopyranosyl)-beta-d-glucopyranoside]
  • (s)-7-((2-o-(6-deoxy-alpha-l-mannopyranosyl)-beta-d-glucopyranosyl)oxy)-2-(3,4-dihydroxyphenyl)-2,3-dihydro-5-hydroxy-4h-benzopyran-4-one
  • acon1_000964
  • eriodictyol 7-neohesperidoside
  • eriodictyol 7-o-neohesperidoside
  • megxp0_001062
CAS Number(s)
  • 13241-32-2
  • 36790-48-4
  • 39280-04-1
InChIKey OBKKEZLIABHSGY-DOYQYKRZSA-N
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