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5-{2-[(2R,3S)-2',3'-Dihydro-3'-(p-hydroxy-3",5"-dimethoxyphenyl)-2'-(hydroxymethyl)-1',4'-benzodioxin-6'-yl]-ethenyl}benzene-1,3-diol
SpectraBase Compound ID 2LQIecYxRHi
InChI InChI=1S/C25H24O8/c1-30-21-10-16(11-22(31-2)24(21)29)25-23(13-26)32-19-6-5-14(9-20(19)33-25)3-4-15-7-17(27)12-18(28)8-15/h3-12,23,25-29H,13H2,1-2H3/b4-3+/t23-,25+/m1/s1
InChIKey KDMFHGGHQLUIRH-GDMKYMSGSA-N
Mol Weight 452.46 g/mol
Molecular Formula C25H24O8
Exact Mass 452.147118 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 54KUZG4WES
Name 5-{2-[(2R,3S)-2',3'-Dihydro-3'-(p-hydroxy-3",5"-dimethoxyphenyl)-2'-(hydroxymethyl)-1',4'-benzodioxin-6'-yl]-ethenyl}benzene-1,3-diol
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Formula C25H24O8
InChI InChI=1S/C25H24O8/c1-30-21-10-16(11-22(31-2)24(21)29)25-23(13-26)32-19-6-5-14(9-20(19)33-25)3-4-15-7-17(27)12-18(28)8-15/h3-12,23,25-29H,13H2,1-2H3/b4-3+/t23-,25+/m1/s1
InChIKey KDMFHGGHQLUIRH-GDMKYMSGSA-N
Molecular Weight 452.459 g/mol
SMILES Oc1c(cc([C@@]2(Oc3cc(\C=C\c4cc(cc(c4)O)O)ccc3O[C@@]2(CO)[H])[H])cc1OC)OC
SPLASH splash10-0uxr-2900200000-eaf17b55cc4304d46215
Source of Spectrum B-60-250-2
Synonyms 5-{(E)-2-[(2R,3S)-3-(4-hydroxy-3,5-dimethoxyphenyl)-2-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]ethenyl}-1,3-benzenediol 5-{2-[(2R,3S)-2',3'-Dihydro-3'-(p-hydroxy-3'',5'-dimethoxyphenyl)-2'-(hydroxymethyl)-1',4'-benzodioxin-6'-yl]-ethenyl}benzene-1,3-diol
Wiley ID 1583820