Iso-Schaftoside

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Properties Simple | Detailed

Formula C26H28O14
IUPAC Name 5,7-dihydroxy-2-(4-hydroxyphenyl)-8-[(2s,3r,4r,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]-6-[(2s,3r,4s,5s)-3,4,5-trihydroxytetrahydropyran-2-yl]chromen-4-one
Molecular Mass 564.492 g·mol−1
Heat of Formation -2378.1 ± 16.7 kJ·mol−1
Dipole Moment 2.96 ± 1.08 D
Volume 596.58 Å 3
Surface Area 456.9 Å 2
HOMO Energy -9.54 ± 0.55 eV
LUMO Energy -1.15 ± eV
Point Group Symmetry C1
Synonyms
  • 4h-1-benzopyran-4-one, 6-alpha-l-arabinopyranosyl-8-beta-d-glucopyranosyl-5,7-dihydroxy-2-(4-hydroxyphenyl)-
  • 5,7,4'-trihydroxy-6-c-arabinoside-8-c-glucoside flavone
  • 5,7-dihydroxy-2-(4-hydroxyphenyl)-8-[(2s,3r,4r,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]-6-[(2s,3r,4s,5s)-3,4,5-trihydroxy-2-tetrahydropyranyl]-4-chromenone
  • 5,7-dihydroxy-2-(4-hydroxyphenyl)-8-[(2s,3r,4r,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-6-[(2s,3r,4s,5s)-3,4,5-trihydroxyoxan-2-yl]chromen-4-one
  • 5,7-dihydroxy-2-(4-hydroxyphenyl)-8-[(2s,3r,4r,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]-6-[(2s,3r,4s,5s)-3,4,5-trihydroxytetrahydropyran-2-yl]chromen-4-one
  • 5,7-dihydroxy-2-(4-hydroxyphenyl)-8-[(2s,3r,4r,5s,6r)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]-6-[(2s,3r,4s,5s)-3,4,5-trihydroxytetrahydropyran-2-yl]chromone
  • isoschaftoside
CAS Number(s)
  • 52012-29-0
InChIKey OVMFOVNOXASTPA-VYUBKLCTSA-N
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