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EPICATECHIN-5-SULFATE_AMMONIUM_SALT

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EPICATECHIN-5-SULFATE_AMMONIUM_SALT
SpectraBase Compound ID 5LqWJhRORCc
InChI InChI=1S/C15H14O9S.N/c16-8-4-13-9(14(5-8)24-25(20,21)22)6-12(19)15(23-13)7-1-2-10(17)11(18)3-7;/h1-5,12,15-19H,6H2,(H,20,21,22);/q;+1/p-1/t12-,15-;/m1./s1
InChIKey NMZPFRSXMNMNFC-XRZFDKQNSA-M
Mol Weight 383.33 g/mol
Molecular Formula C15H13NO9S
Exact Mass 383.031102 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID H3cOg9UOvQt
Name EPICATECHIN-5-SULFATE_AMMONIUM_SALT
Compound Number 3S
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C15H13NO9S
InChI InChI=1S/C15H14O9S.N/c16-8-4-13-9(14(5-8)24-25(20,21)22)6-12(19)15(23-13)7-1-2-10(17)11(18)3-7;/h1-5,12,15-19H,6H2,(H,20,21,22);/q;+1/p-1/t12-,15-;/m1./s1
InChIKey NMZPFRSXMNMNFC-XRZFDKQNSA-M
Literature Reference Author M.ZHANG,G.E.JAGDMANN,M.VANZANDT,R.SHEELER,P.BECKETT,H.SCHROE TER
Literature Reference Citation J.NAT.PROD.,76,157(2013)
Literature Reference DOI 10.1021/np300568m
Molecular Weight 383.330 g/mol
Sample ID 42046
Solvent DMSO-D6