Scirpusin B

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Properties Simple | Detailed

Formula C28H22O8
IUPAC Name 4-[(e)-2-[(2s,3s)-2-(3,4-dihydroxyphenyl)-3-(3,5-dihydroxyphenyl)-6-hydroxy-2,3-dihydrobenzofuran-4-yl]vinyl]benzene-3,5,6-triide-1,2-diolate
Molecular Mass 486.469 g·mol−1
Heat of Formation -231.0 ± 16.7 kJ·mol−1
Dipole Moment 3.14 ± 1.08 D
Volume 542.0 Å 3
Surface Area 438.22 Å 2
Point Group Symmetry C1
Synonyms
  • 5-[(2s,3s)-2-(3,4-dihydroxyphenyl)-4-[(e)-2-(3,4-dihydroxyphenyl)ethenyl]-6-hydroxy-2,3-dihydro-1-benzofuran-3-yl]benzene-1,3-diol
  • 5-[(2s,3s)-2-(3,4-dihydroxyphenyl)-4-[(e)-2-(3,4-dihydroxyphenyl)vinyl]-6-hydroxy-2,3-dihydrobenzofuran-3-yl]benzene-1,3-diol
  • 5-[(2s,3s)-2-(3,4-dihydroxyphenyl)-4-[(e)-2-(3,4-dihydroxyphenyl)vinyl]-6-hydroxy-2,3-dihydrobenzofuran-3-yl]resorcinol
InChIKey MTYSFTYBAMMIGE-MJECPWISSA-N
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