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

View entire compound with spectra: 1 NMR, 1 FTIR, and 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

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DxNbGmnEItP
Name (2R,3S)-8-Benzyl-5,7,3',4'-tetra-o-methylcatechin
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 436.188588616 u
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 C12=C(C[C@@]([C@](O2)(C=2C=C(OC)C(=CC2)OC)[H])(O)[H])C(OC)=CC(=C1CC=1C=CC=CC1)OC