Swertiajaponin

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Properties Simple | Detailed

Formula C22H22O11
IUPAC Name 2-(3,4-dihydroxyphenyl)-5-hydroxy-7-methoxy-6-[(2s,3r,4r,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]chromen-4-one
Molecular Mass 462.403 g·mol−1
Heat of Formation -1750.2 ± 16.7 kJ·mol−1
Dipole Moment 7.87 ± 1.08 D
Volume 494.8 Å 3
Surface Area 420.91 Å 2
HOMO Energy -9.44 ± 0.55 eV
LUMO Energy 1.70 ± eV
Point Group Symmetry C1
Synonyms
  • 2-(3,4-dihydroxyphenyl)-5-hydroxy-7-methoxy-6-[(2s,3r,4r,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]-4-chromenone
  • 2-(3,4-dihydroxyphenyl)-5-hydroxy-7-methoxy-6-[(2s,3r,4r,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one
  • 2-(3,4-dihydroxyphenyl)-5-hydroxy-7-methoxy-6-[(2s,3r,4r,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]chromen-4-one
  • 2-(3,4-dihydroxyphenyl)-5-hydroxy-7-methoxy-6-[(2s,3r,4r,5s,6r)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]chromone
  • 4h-benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-6-beta-d-glucopyranosyl-5-hydroxy-7-methoxy-
  • leucanthoside
CAS Number(s)
  • 6980-25-2
InChIKey DLVLXOYLQKCAME-DGHBBABESA-N
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