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4-[(1E)-1-(Hydroxymethyl)-3-(4-hydroxyphenyl)prop-1-en-1-yl]phenyl-beta-D-glucopyranoside

View entire compound with spectra: 1 MS (GC)

4-[(1E)-1-(Hydroxymethyl)-3-(4-hydroxyphenyl)prop-1-en-1-yl]phenyl-beta-D-glucopyranoside
SpectraBase Compound ID JWI8zbgoqxk
InChI InChI=1S/C22H26O8/c23-11-15(4-1-13-2-7-16(25)8-3-13)14-5-9-17(10-6-14)29-22-21(28)20(27)19(26)18(12-24)30-22/h2-10,18-28H,1,11-12H2/b15-4-/t18-,19-,20+,21-,22-/m1/s1
InChIKey GDIIAOCMTDMPBN-IJQFHQEUSA-N
Mol Weight 418.44 g/mol
Molecular Formula C22H26O8
Exact Mass 418.162768 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FGs2oMdWFnu
Name 4-[(1E)-1-(Hydroxymethyl)-3-(4-hydroxyphenyl)prop-1-en-1-yl]phenyl-beta-D-glucopyranoside
Alternate Name(s) Squadinorlignoside (2S,3R,4S,5S,6R)-2-(4-((E)-1-hydroxy-4-(4-hydroxyphenyl)but-2-en-2-yl)phenoxy)-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H26O8
InChI InChI=1S/C22H26O8/c23-11-15(4-1-13-2-7-16(25)8-3-13)14-5-9-17(10-6-14)29-22-21(28)20(27)19(26)18(12-24)30-22/h2-10,18-28H,1,11-12H2/b15-4-/t18-,19-,20+,21-,22-/m1/s1
InChIKey GDIIAOCMTDMPBN-IJQFHQEUSA-N
Molecular Weight 418.442 g/mol
SMILES O[C@@]1([C@]([C@@]([C@@](CO)(O[C@]1(Oc1ccc(cc1)\C(=C/Cc1ccc(cc1)O)CO)[H])[H])(O)[H])(O)[H])[H]
SPLASH splash10-052r-0690000000-8d9c372d58908c77c3d9
Source of Spectrum H-88-2737-1
Wiley ID 1785609