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5-{2-[(2R,3S)-2',3'-Dihydro-3'-(p-hydroxy-3",5"-dimethoxyphenyl)-2'-(hydroxymethyl)-1',4'-benzodioxin-7'-yl]-ethenyl}benzene-1,3-diol
SpectraBase Compound ID Fdcj0EGBwWP
InChI InChI=1S/C25H24O8/c1-30-21-10-16(11-22(31-2)24(21)29)25-23(13-26)32-20-9-14(5-6-19(20)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 NRWSJVSDHGEDIO-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 1d8NkQIh8VF
Name 5-{2-[(2R,3S)-2',3'-Dihydro-3'-(p-hydroxy-3",5"-dimethoxyphenyl)-2'-(hydroxymethyl)-1',4'-benzodioxin-7'-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)32-20-9-14(5-6-19(20)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 NRWSJVSDHGEDIO-GDMKYMSGSA-N
Molecular Weight 452.459 g/mol
SMILES Oc1c(cc([C@]2([C@](Oc3c(ccc(\C=C\c4cc(cc(c4)O)O)c3)O2)(CO)[H])[H])cc1OC)OC
SPLASH splash10-0udi-3910300000-226119e573d9e655124a
Source of Spectrum B-60-250-4
Synonyms 5-{(E)-2-[(2S,3R)-2-(4-hydroxy-3,5-dimethoxyphenyl)-3-(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-7'-yl]-ethenyl}benzene-1,3-diol
Wiley ID 1583818