Tectoridin

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Properties Simple | Detailed

Formula C22H22O11
IUPAC Name 5-hydroxy-3-(4-hydroxyphenyl)-6-methoxy-7-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-chromen-4-one
Molecular Mass 462.403 g·mol−1
Heat of Formation -1672.8 ± 16.7 kJ·mol−1
Dipole Moment 1.61 ± 1.08 D
Volume 496.21 Å 3
Surface Area 421.8 Å 2
HOMO Energy -8.94 ± 0.55 eV
LUMO Energy 2.10 ± eV
Point Group Symmetry C1
Synonyms
  • 4',5-dihydro-6-methoxy-7-(o-glucoside)isoflavone
  • 4h-1-benzopyran-4-one, 7-(beta-d-glucopyranosyloxy)-5-hydroxy-3-(4-hydroxyphenyl)-6-methoxy-
  • 5-hydroxy-3-(4-hydroxyphenyl)-6-methoxy-7-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-chromen-4-one
  • 5-hydroxy-3-(4-hydroxyphenyl)-6-methoxy-7-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
  • 5-hydroxy-3-(4-hydroxyphenyl)-6-methoxy-7-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-chromen-4-one
  • 5-hydroxy-3-(4-hydroxyphenyl)-6-methoxy-7-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-chromone
  • 5-hydroxy-3-(4-hydroxyphenyl)-6-methoxy-7-[[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]-4-chromenone
  • shekanin
  • tectoridin (7ci,8ci)
CAS Number(s)
  • 611-40-5
InChIKey CNOURESJATUGPN-UDEBZQQRSA-N
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