6-(2-O-β-D-Glucopyranosyl-β-D-Glucopyranosyl)-5-Hydroxy-2-(4-Hydroxyphenyl)-7-Methoxy-4H-1-Benzopyran-4-One

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Properties Simple | Detailed

Formula C28H33O15+
IUPAC Name 6-[(2s,3r,4s,5s,6r)-4,5-dihydroxy-6-(oxidomethyl)-3-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(oxidomethyl)tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]-7-methoxy-2-(4-oxidobenzene-2,3,5,6-tetraid-1-yl)-4-oxo-3,8-dihydrochromene-3,8-diid-5-olate
Molecular Mass 609.553 g·mol−1
Heat of Formation -30.8 ± 16.7 kJ·mol−1
Dipole Moment 5.41 ± 1.08 D
Volume 645.53 Å 3
Surface Area 490.27 Å 2
Point Group Symmetry C1
Synonyms
  • 2''-o-beta-d-glucopyranosylswertisin
  • 4h-1-benzopyran-4-one, 6-(2-o-beta-d-glucopyranosyl-beta-d-glucopyranosyl)-5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-
  • 6-[(2s,3r,4s,5s,6r)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-oxan-2-yl]-5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-chromen-4-one
  • 6-[(2s,3r,4s,5s,6r)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]-5-hydroxy-2-(4-hydroxyphenyl)-7-methoxychromen-4-one
  • 6-[(2s,3r,4s,5s,6r)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]-5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-chromen-4-one
  • 6-[(2s,3r,4s,5s,6r)-4,5-dihydroxy-6-(hydroxymethyl)-3-[[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]-2-tetrahydropyranyl]-5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-4-chromenone
  • 6-[(2s,3r,4s,5s,6r)-4,5-dihydroxy-6-methylol-3-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]-5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-chromone
  • spinosin
CAS Number(s)
  • 72063-39-9
InChIKey VGGSULWDCMWZPO-ODEMIOGVSA-N
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