8-Hydroxy-6-Methyl-9,10-Dioxo-9,10-Dihydro-1-Anthracenyl β-D-Glucopyranoside

Molecule SVG Image

Properties Simple | Detailed

Formula C21H20O9
IUPAC Name 1-hydroxy-3-methyl-8-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-anthracene-9,10-dione
Molecular Mass 416.378 g·mol−1
Heat of Formation -1334.8 ± 16.7 kJ·mol−1
Dipole Moment 4.05 ± 1.08 D
Volume 455.23 Å 3
Surface Area 375.53 Å 2
HOMO Energy -9.44 ± 0.55 eV
LUMO Energy -1.45 ± eV
Point Group Symmetry C1
Synonyms
  • 1-hydroxy-3-methyl-8-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-anthracene-9,10-dione
  • 1-hydroxy-3-methyl-8-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyanthracene-9,10-dione
  • 1-hydroxy-3-methyl-8-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-anthracene-9,10-dione
  • 1-hydroxy-3-methyl-8-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-9,10-anthraquinone
  • 1-hydroxy-3-methyl-8-[[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]anthracene-9,10-dione
  • 8-(beta-d-glucopyranosyloxy)-1-hydroxy-3-methyl-9,10-anthraquinone
  • 8-hydroxy-6-methyl-9,10-dioxo-9,10-dihydroanthracen-1-yl beta-d-glucopyranoside
  • chrysophanol 8-glucoside
  • chrysophanol 8-o-beta-d-glucopyranoside
  • chrysophanol 8-o-beta-d-glucoside
  • chrysophanol 8-o-glucoside
  • chrysophanol-8-o-beta-d-glucopyranoside
  • lmpk02000036
  • pulmatin
CAS Number(s)
  • 13241-28-6
InChIKey WMMOMSNMMDMSRB-JNHRPPPUSA-N
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