Scopolin

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Formula C16H18O9
IUPAC Name 6-methoxy-7-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-chromen-2-one
Molecular Mass 354.309 g·mol−1
Heat of Formation -1370.3 ± 16.7 kJ·mol−1
Dipole Moment 3.45 ± 1.08 D
Volume 389.81 Å 3
Surface Area 325.98 Å 2
HOMO Energy -9.17 ± 0.55 eV
LUMO Energy -1.29 ± eV
Point Group Symmetry C1
Synonyms
  • 6-methoxy-2-oxo-2h-chromen-7-yl beta-d-glucopyranoside
  • 6-methoxy-7-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-chromen-2-one
  • 6-methoxy-7-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one
  • 6-methoxy-7-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-chromen-2-one
  • 6-methoxy-7-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-coumarin
  • 6-methoxy-7-[[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]-2-chromenone
  • 7-(beta-d-glucopyranosoyloxy)-6-methoxy-2h-1-benzopyran-2-one
InChIKey SGTCGCCQZOUMJJ-YMILTQATSA-N
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