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3-METHOXY-ELLAGIC-ACID-4,4'-DISULFATE
SpectraBase Compound ID 9l1H4negE70
InChI InChI=1S/C15H8O14S2.2Na/c1-25-11-7(29-31(22,23)24)3-5-9-8-4(15(18)27-13(9)11)2-6(28-30(19,20)21)10(16)12(8)26-14(5)17;;/h2-3,16H,1H3,(H,19,20,21)(H,22,23,24);;/q;2*+1/p-2
InChIKey HMVHLVWYDAVYEC-UHFFFAOYSA-L
Mol Weight 520.3 g/mol
Molecular Formula C15H6Na2O14S2
Exact Mass 519.899436 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JacgE9lzwvD
Name 3-METHOXY-ELLAGIC-ACID-4,4'-DISULFATE
Compound Number 4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C15H6Na2O14S2
InChI InChI=1S/C15H8O14S2.2Na/c1-25-11-7(29-31(22,23)24)3-5-9-8-4(15(18)27-13(9)11)2-6(28-30(19,20)21)10(16)12(8)26-14(5)17;;/h2-3,16H,1H3,(H,19,20,21)(H,22,23,24);;/q;2*+1/p-2
InChIKey HMVHLVWYDAVYEC-UHFFFAOYSA-L
Literature Reference Author M.A.NAWWAR,N.A.AYOUB,M.A.EL-RAI,F.BASSYOUNY,E.S.MOSTAFA,A.M. AL-ABD,M.HARMS,K.WEN
Literature Reference Citation FITOTERAPIA,83,1256(2012)
Literature Reference DOI 10.1016/j.fitote.2012.06.007
Molecular Weight 520.304 g/mol
Sample ID 72036
Solvent DMSO-D6