Cynanoneside B

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Properties Simple | Detailed

Formula C14H18O8
IUPAC Name 1-[4-hydroxy-2-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-phenyl]ethanone
Molecular Mass 314.288 g·mol−1
Heat of Formation -1357.8 ± 16.7 kJ·mol−1
Dipole Moment 4.23 ± 1.08 D
Volume 352.01 Å 3
Surface Area 302.13 Å 2
HOMO Energy -9.48 ± 0.55 eV
LUMO Energy -0.28 ± eV
Point Group Symmetry C1
Synonyms
  • 1-(2-(beta-d-glucopyranosyloxy)-4-hydroxyphenyl)ethanone
  • 1-[4-hydroxy-2-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-phenyl]ethanone
  • 1-[4-hydroxy-2-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]ethanone
  • 1-[4-hydroxy-2-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-phenyl]ethanone
  • 1-[4-hydroxy-2-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-phenyl]ethanone
  • 1-[4-hydroxy-2-[[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]phenyl]ethanone
  • 2-o-glucosyl-4-hydroxyacetophenone
  • bungeiside b
  • bungeiside-b
  • ethanone, 1-(2-(beta-d-glucopyranosyloxy)-4-hydroxyphenyl)-
CAS Number(s)
  • 149561-88-6
InChIKey UEIZKRYEGCOJBJ-RKQHYHRCSA-N
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