Curculigoside A

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Properties Simple | Detailed

Formula C22H26O11
IUPAC Name [5-hydroxy-2-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methyl 2,6-dimethoxybenzoate
Molecular Mass 466.435 g·mol−1
Heat of Formation -1753.5 ± 16.7 kJ·mol−1
Dipole Moment 6.71 ± 1.08 D
Volume 524.49 Å 3
Surface Area 450.24 Å 2
HOMO Energy -8.74 ± 0.55 eV
LUMO Energy -0.63 ± eV
Point Group Symmetry C1
Synonyms
  • 2,6-dimethoxybenzoic acid [5-hydroxy-2-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-benzyl] ester
  • 2,6-dimethoxybenzoic acid [5-hydroxy-2-[[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]phenyl]methyl ester
  • [5-hydroxy-2-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-phenyl]methyl 2,6-dimethoxybenzoate
  • [5-hydroxy-2-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-phenyl]methyl 2,6-dimethoxybenzoate
  • beta-d-glucopyranoside, 2-(((2,6-dimethoxybenzoyl)oxy)methyl)-4-hydroxyphenyl
  • curculigoside
CAS Number(s)
  • 85643-19-2
InChIKey SJJRKHVKAXVFJQ-QKYBYQKWSA-N
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