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5-[(E)-2-[(2R,3R)-2-(3,5-dimethoxy-4-oxidanyl-phenyl)-3-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]ethenyl]benzene-1,3-diol

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5-[(E)-2-[(2R,3R)-2-(3,5-dimethoxy-4-oxidanyl-phenyl)-3-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]ethenyl]benzene-1,3-diol
SpectraBase Compound ID 3hIntRro2Z3
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-OOODPRFPSA-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 BjYMTQRmn7A
Name 5-[(E)-2-[(2R,3R)-2-(3,5-dimethoxy-4-oxidanyl-phenyl)-3-(hydroxymethyl)-2,3-dihydro-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)32-20-9-14(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-OOODPRFPSA-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 splash10-0gb9-2940200000-0d84c1a52306ccaea6e6
Source of Spectrum B-60-250-3
Synonyms 5-[(E)-2-[(2R,3R)-2-(4-hydroxy-3,5-dimethoxy-phenyl)-3-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]vinyl]benzene-1,3-diol 5-[(E)-2-[(2R,3R)-2-(4-hydroxy-3,5-dimethoxy-phenyl)-3-methylol-2,3-dihydro-1,4-benzodioxin-6-yl]vinyl]resorcinol 5-[(E)-2-[(2R,3R)-2-(4-hydroxy-3,5-dimethoxyphenyl)-3-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]ethenyl]benzene-1,3-diol
Wiley ID 1583819