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(2R,3S)-8-Benzyl-5,7,3',4'-tetra-O-methylcatechin

View entire compound with spectra: 1 MS (GC)

(2R,3S)-8-Benzyl-5,7,3',4'-tetra-O-methylcatechin
SpectraBase Compound ID 2NEpZjmblqU
InChI InChI=1S/C26H28O6/c1-28-21-11-10-17(13-24(21)31-4)25-20(27)14-19-23(30-3)15-22(29-2)18(26(19)32-25)12-16-8-6-5-7-9-16/h5-11,13,15,20,25,27H,12,14H2,1-4H3/t20-,25+/m0/s1
InChIKey GADNKQLYCRFUGJ-NBGIEHNGSA-N
Mol Weight 436.5 g/mol
Molecular Formula C26H28O6
Exact Mass 436.188589 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4g7s0swbEdT
Name (2R,3S)-8-Benzyl-5,7,3',4'-tetra-O-methylcatechin
Alternate Name(s) (2R,3S)-8-benzyl-2-(3,4-dimethoxyphenyl)-5,7-dimethoxy-3,4-dihydro-2H-chromen-3-ol 8-Benzyl-5,7,3',4'-tetra-O-methylcatechin
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H28O6
InChI InChI=1S/C26H28O6/c1-28-21-11-10-17(13-24(21)31-4)25-20(27)14-19-23(30-3)15-22(29-2)18(26(19)32-25)12-16-8-6-5-7-9-16/h5-11,13,15,20,25,27H,12,14H2,1-4H3/t20-,25+/m0/s1
InChIKey GADNKQLYCRFUGJ-NBGIEHNGSA-N
Molecular Weight 436.504 g/mol
SMILES O[C@@]1([C@](Oc2c(C1)c(OC)cc(c2Cc1ccccc1)OC)(c1cc(OC)c(cc1)OC)[H])[H]
SPLASH splash10-0a4i-0090100000-5e63110fb893dc1a5bfc
Source of Spectrum J-66-1294-25
Wiley ID 1534526