Astilbin

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Properties Simple | Detailed

Formula C21H22O11
IUPAC Name (2r,3r)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-chroman-4-one
Molecular Mass 450.393 g·mol−1
Heat of Formation -1829.5 ± 16.7 kJ·mol−1
Dipole Moment 3.04 ± 1.08 D
Volume 481.11 Å 3
Surface Area 396.35 Å 2
HOMO Energy -9.15 ± 0.55 eV
LUMO Energy -0.75 ± eV
Point Group Symmetry C1
Synonyms
  • (2r,3r)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyl-oxan-2-yl]oxy-chroman-4-one
  • (2r,3r)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-chroman-4-one
  • (2r,3r)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxychroman-4-one
  • (2r,3r)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyl-2-tetrahydropyranyl]oxy]-4-chromanone
  • (2r,3r)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-3,4-dihydro-2h-chromen-3-yl 6-deoxy-alpha-l-mannopyranoside
  • (2r-trans)-3-((6-deoxy-alpha-l-mannopyranosyl)oxy)-2-(3,4-dihydroxyphenyl)-2,3-dihydro-5,7-dihydroxy-4h-1-benzopyran-4-one
  • 4h-1-benzopyran-4-one, 3-((6-deoxy-alpha-l-mannopyranosyl)oxy)-2-(3,4-dihydroxyphenyl)-2,3-dihydro-5,7-dihydroxy-, (2r,3r)-
  • 4h-1-benzopyran-4-one, 3-((6-deoxy-alpha-l-mannopyranosyl)oxy)-2-(3,4-dihydroxyphenyl)-2,3-dihydro-5,7-dihydroxy-, (2r-trans)-
  • acon1_000616
  • isoastilbin
  • megxp0_000363
  • neoisoastilbin
InChIKey ZROGCCBNZBKLEL-MPRHSVQHSA-N
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