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3'-O-METHYLEPICATECHIN-4'-SULFATE_AMMONIUM_SALT

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3'-O-METHYLEPICATECHIN-4'-SULFATE_AMMONIUM_SALT
SpectraBase Compound ID 8mPqV3KyNzD
InChI InChI=1S/C16H16O9S.N/c1-23-15-4-8(2-3-13(15)25-26(20,21)22)16-12(19)7-10-11(18)5-9(17)6-14(10)24-16;/h2-6,12,16-19H,7H2,1H3,(H,20,21,22);/q;+1/p-1/t12-,16-;/m1./s1
InChIKey LFUKBNHSRXPSOB-VQZRABBESA-M
Mol Weight 397.35 g/mol
Molecular Formula C16H15NO9S
Exact Mass 397.046752 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HCGvKHE4f8p
Name 3'-O-METHYLEPICATECHIN-4'-SULFATE_AMMONIUM_SALT
Compound Number 5S
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C16H15NO9S
InChI InChI=1S/C16H16O9S.N/c1-23-15-4-8(2-3-13(15)25-26(20,21)22)16-12(19)7-10-11(18)5-9(17)6-14(10)24-16;/h2-6,12,16-19H,7H2,1H3,(H,20,21,22);/q;+1/p-1/t12-,16-;/m1./s1
InChIKey LFUKBNHSRXPSOB-VQZRABBESA-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 397.356 g/mol
Sample ID 42048
Solvent DMSO-D6