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AIPHANOL;5-[2-[3-(HYDROXY-3,5-DIMETHOXYPHENYL)-2-HYDROXYMETHYL-2,3-DIHYDROBENZO-[1,4]-DIOXIN-6-YL]-VINYL]-BENZENE-1,3-DIOL

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AIPHANOL;5-[2-[3-(HYDROXY-3,5-DIMETHOXYPHENYL)-2-HYDROXYMETHYL-2,3-DIHYDROBENZO-[1,4]-DIOXIN-6-YL]-VINYL]-BENZENE-1,3-DIOL
SpectraBase Compound ID 3PYBS8xEGdo
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-/m0/s1
InChIKey KDMFHGGHQLUIRH-BGQDKLJESA-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 9v5wxBefFGD
Name (1E,2'S,3'S)-5-{2'-[2',3'-Dihydro-3'-(4"-hydroxy-3",5"-dimethoxyphenyl)-2'-(hydroxymethyl)-1',4'-benzodioxin-6'-yl]ethenyl}-1,3-benzenediol [(-)-aiphanol]
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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-/m0/s1
InChIKey KDMFHGGHQLUIRH-BGQDKLJESA-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 splash10-0w2c-3650900000-a84858b356100a9a2ea3
Source of Spectrum KD-16-1653-1
Synonyms 5-[(E)-2-[(2S,3S)-3-(4-hydroxy-3,5-dimethoxyphenyl)-2-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]ethenyl]benzene-1,3-diol 5-[(E)-2-[(2S,3S)-3-(4-hydroxy-3,5-dimethoxy-phenyl)-2-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]vinyl]benzene-1,3-diol 5-[(E)-2-[(2S,3S)-3-(3,5-dimethoxy-4-oxidanyl-phenyl)-2-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]ethenyl]benzene-1,3-diol
Wiley ID 1637702