Zivalgarin

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Properties Simple | Detailed

Formula C28H32O15
IUPAC Name [(2r,3s,4s,5r,6s)-6-[(2r,3s,4r,5r,6s)-6-[4,5-dioxo-2-(4-oxocyclohexa-2,5-dien-1-ylidene)-7,8-dihydrochromene-6,7,8-triid-6-yl]-4,5-dihydroxy-2-(hydroxymethyl)tetrahydropyran-3-yl]oxy-3,4,5-trihydroxy-tetrahydropyran-2-yl]methanolate; methanone
Molecular Mass 608.545 g·mol−1
Heat of Formation -2490.5 ± 16.7 kJ·mol−1
Dipole Moment 6.54 ± 1.08 D
Volume 651.29 Å 3
Surface Area 540.12 Å 2
HOMO Energy -9.32 ± 0.55 eV
LUMO Energy -1.12 ± eV
Point Group Symmetry C1
Synonyms
  • 4h-1-benzopyran-4-one, 6-(4-o-beta-d-glucopyranosyl-beta-d-glucopyranosyl)-5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-
  • 6-[(2s,3r,4r,5s,6r)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(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,4r,5s,6r)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(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,4r,5s,6r)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(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,4r,5s,6r)-3,4-dihydroxy-6-(hydroxymethyl)-5-[[(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,4r,5s,6r)-3,4-dihydroxy-6-methylol-5-[(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
  • zivulgarin
CAS Number(s)
  • 108657-24-5
InChIKey LTSHFAAMUZRJGB-OOAZWYKYSA-N
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