Kaempferol-7-Neohesperidoside

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Properties Simple | Detailed

Formula C27H31O15+
IUPAC Name 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-3,5-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one
Molecular Mass 595.526 g·mol−1
Heat of Formation -2505.6 ± 16.7 kJ·mol−1
Dipole Moment 4.72 ± 1.08 D
Volume 639.22 Å 3
Surface Area 510.2 Å 2
HOMO Energy -9.13 ± 0.55 eV
LUMO Energy 2.00 ± eV
Point Group Symmetry C1
Synonyms
  • 7-((2-o-(6-deoxy-alpha-l-mannopyranosyl)-beta-d-glucopyranosyl)oxy)-3,5-dihydroxy-2-(4-hydroxyphenyl)-4h-benzopyran-4-one
  • 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-3,5-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one
  • 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-3,5-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one
  • 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-3,5-dihydroxy-2-(4-hydroxyphenyl)chromone
  • 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]-3,5-dihydroxy-2-(4-hydroxyphenyl)-4-chromenone
  • kaemp-7-neohesperidoside
  • kaempferol 7-neohesperidoside
CAS Number(s)
  • 17353-03-6
  • 31921-42-3
InChIKey ZEJXENDZTYVXDP-CSJHBIPPSA-N
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