John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=B1k8deFpyHD

(accessed ).

(2R,3S,4S)-2,3-TRANS-3,4-CIS-4-(2,4-DIHYDROXYPHENYL)-3',4',7-TRIHYDROXYFLAVAN-3-OL

Compound with free spectra: 1 NMR

(2R,3S,4S)-2,3-TRANS-3,4-CIS-4-(2,4-DIHYDROXYPHENYL)-3',4',7-TRIHYDROXYFLAVAN-3-OL
SpectraBase Compound ID B1k8deFpyHD
InChI InChI=1S/C21H18O7/c22-11-2-4-13(16(25)8-11)19-14-5-3-12(23)9-18(14)28-21(20(19)27)10-1-6-15(24)17(26)7-10/h1-9,19-27H/t19-,20-,21+/m0/s1
InChIKey KIVIQLZOPPBBNC-PCCBWWKXSA-N
Mol Weight 382.37 g/mol
Molecular Formula C21H18O7
Exact Mass 382.105253 g/mol
Enantiomer InChIKey KIVIQLZOPPBBNC-NJYVYQBISA-N

View Spectrum of (2R,3S,4S)-2,3-TRANS-3,4-CIS-4-(2,4-DIHYDROXYPHENYL)-3',4',7-TRIHYDROXYFLAVAN-3-OL

13C NMR Spectrum
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent ACETONE-D6:D2O=95:5
(2S,3S,4R)-2,3-CIS-3,4-TRANS-4-(2,4-DIHYDROXYPHENYL)-3',4',7-TRIHYDROXYFLAVAN-3-OL
(2R,3S,4R)-2,3-TRANS-3,4-TRANS-4-(2,4-DIHYDROXYPHENYL)-3',4',7-TRIHYDROXYFLAVAN-3-OL
(2S,3S,4R)-2,3-CIS-3,4-TRANS-4-(2,4,6-TRIHYDROXYPHENYL)-3',4',7-TRIHYDROXYFLAVAN-3-OL
(2R,3S,4S)-2,3-TRANS-3,4-CIS-4-(2,4,6-TRIHYDROXYPHENYL)-3',4',7-TRIHYDROXYFLAVAN-3-OL
(2R,3S,4R)-2,3-TRANS-3,4-TRANS-4-(2,4,6-TRIHYDROXYPHENYL)-3',4',7-TRIHYDROXYFLAVAN-3-OL
4-BETA-CARBOXYMETHYL-(-)-EPICATECHIN_METHYLESTER
4-BENZYLTHIOEPICATECHIN
(+)-CATECHIN-4-B-BENZYLTHIOETHER
(-)-4-beta-(2-HYDROXY-ETHYL-SULFONYL)-EPICATECHIN
2H-1-Benzopyran-3,4-diol, 2-(3,4-dimethoxyphenyl)-3,4-dihydro-7-methoxy-, 4-acetate, (2.alpha.,3.beta.,4.alpha.)-(+)-
Title Journal or Book Year
Spectroscopic properties of free phenolic 4-arylflavan-3-ols as models for natural condensed tannins Magnetic Resonance in Chemistry 1993
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