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4'-O-METHYLEPICATECHIN-5-SULFATE_AMMONIUM_SALT

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4'-O-METHYLEPICATECHIN-5-SULFATE_AMMONIUM_SALT
SpectraBase Compound ID LpYCCrjgLAc
InChI InChI=1S/C16H16O9S.N/c1-23-13-3-2-8(4-11(13)18)16-12(19)7-10-14(24-16)5-9(17)6-15(10)25-26(20,21)22;/h2-6,12,16-19H,7H2,1H3,(H,20,21,22);/q;+1/p-1/t12-,16-;/m1./s1
InChIKey PIRIOWLRPMTZGU-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 4SSEmwszIAi
Name 4'-O-METHYLEPICATECHIN-5-SULFATE_AMMONIUM_SALT
Compound Number 9S
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C16H15NO9S
InChI InChI=1S/C16H16O9S.N/c1-23-13-3-2-8(4-11(13)18)16-12(19)7-10-14(24-16)5-9(17)6-15(10)25-26(20,21)22;/h2-6,12,16-19H,7H2,1H3,(H,20,21,22);/q;+1/p-1/t12-,16-;/m1./s1
InChIKey PIRIOWLRPMTZGU-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 42052
Solvent DMSO-D6