5-{(1E)-3-[4-(β-D-Glucopyranosyloxy)-2-Hydroxyphenyl]-3-Oxo-1-Propen-1-Yl}-2-Hydroxyphenyl β-D-Glucopyranoside

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Properties Simple | Detailed

Formula C27H32O15
IUPAC Name 2-[(e)-3-[4-oxido-3-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-benzene-5,6-diid-1-yl]prop-2-enoyl]-5-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-benzene-3,4,6-triid-1-olate
Molecular Mass 596.534 g·mol−1
Heat of Formation -849.1 ± 16.7 kJ·mol−1
Dipole Moment 9.48 ± 1.08 D
Volume 656.88 Å 3
Surface Area 517.68 Å 2
Point Group Symmetry C1
Synonyms
  • (e)-1-[2-hydroxy-4-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-phenyl]-3-[4-hydroxy-3-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-phenyl]prop-2-en-1-one
  • (e)-1-[2-hydroxy-4-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-3-[4-hydroxy-3-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]prop-2-en-1-one
  • (e)-1-[2-hydroxy-4-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-phenyl]-3-[4-hydroxy-3-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-phenyl]prop-2-en-1-one
  • (e)-1-[2-hydroxy-4-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-phenyl]-3-[4-hydroxy-3-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-phenyl]prop-2-en-1-one
  • (e)-1-[2-hydroxy-4-[[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]phenyl]-3-[4-hydroxy-3-[[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]phenyl]prop-2-en-1-one
  • 2-propen-1-one, 1-(4-(beta-d-glucopyranosyloxy)-2-hydroxyphenyl)-3-(3-(beta-d-glucopyranosyloxy)-4-hydroxyphenyl)-, (e)-
  • 3,4,2',4'-tetrahydroxychalcone-3,4'-diglucoside
  • isobutrin
CAS Number(s)
  • 536-01-6
InChIKey XOTWNDIAAITUKR-KUUXHJTOSA-N
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