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(+)-Catechin hydrate

Compound with spectra: 3 NMR, 2 FTIR, and 1 Raman

(+)-Catechin hydrate
SpectraBase Compound ID 8IWX4tZyjox
InChI InChI=1S/C15H14O6.H2O/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7;/h1-5,13,15-20H,6H2;1H2/t13-,15+;/m0./s1
InChIKey OFUMQWOJBVNKLR-NQQJLSKUSA-N
Mol Weight 308.29 g/mol
Molecular Formula C15H16O7
Exact Mass 308.089603 g/mol
Enantiomer InChIKey OFUMQWOJBVNKLR-PBCQUBLHSA-N

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13C NMR Spectrum
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent CD3OD

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13C NMR Spectrum
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved.
Source of Sample Sigma-Aldrich Co. LLC.
Source of Spectrum Sigma-Aldrich Co. LLC.
Catalog Number 224022
Solvent DMSO-d6

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ATR-IR Spectrum
Copyright Copyright © 2018-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2018-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Sample Aldrich
Catalog Number 224022

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1H NMR Spectrum
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved.
Source of Sample Sigma-Aldrich Co. LLC.
Source of Spectrum Sigma-Aldrich Co. LLC.
Catalog Number 224022
Solvent DMSO-d6

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FTIR Spectrum
Copyright Copyright © 2018-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2018-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Sample Aldrich
Source of Spectrum Sigma-Aldrich Co. LLC.
Catalog Number 224022
Technique Mull

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Raman Spectrum
Copyright Copyright © 2017-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2017-2024 John Wiley & Sons, Inc. All Rights Reserved.
Catalog Number 224022
trans-3,3',4',5,7-Flavanpentol hydrate
Catechin hydrate
(-)-4'-METHYLEPIGALLOCATECHIN
4'-O-METHYL-(-)-EPIGALLOCATECHIN
(-)-4'-O-METHOXYEPIGALLOCATECHIN
3-HYDROXY-7,3',4',5'-TETRAMETHOXY-FLAVAN
5,7-DIHYDROXY-FLAVANONOL
(-)-5,3',4',5'-TETRAHYDROXYFLAVAN-7-GALLATE
TRICETIFLAVAN-7-O-GALLATE;7-O-GALLOYLTRICETIFLAVAN
(2S,3S)-cis-7,4'-Dimethoxy-3-O-acetylflavan
4',7-DI-O-METHYL-3-O-ACETYL-GUIBOURTINIDOL
Title Journal or Book Year
Discovery and antitumor activities of constituents from Cyrtomium fortumei(J.) Smith rhizomes Chemistry Central Journal 2013
trans-3,3',4',5,7-Flavanpentol hydrate
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