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N-[3-BROMO-2-(2,3-DIBROMO-4,5-DIHYDROXYBENZYL)-4,5-DIHYDROXYBENZYL]-METHYL_PYROGLUTAMATE
SpectraBase Compound ID 5TYdL24qHh8
InChI InChI=1S/C20H18Br3NO7/c1-31-20(30)11-2-3-14(27)24(11)7-9-6-13(26)18(28)16(22)10(9)4-8-5-12(25)19(29)17(23)15(8)21/h5-6,11,25-26,28-29H,2-4,7H2,1H3
InChIKey JTKHRHBOOCMXFM-UHFFFAOYSA-N
Mol Weight 624.08 g/mol
Molecular Formula C20H18Br3NO7
Exact Mass 620.863341 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 56NjFRK1G1S
Name N-[3-BROMO-2-(2,3-DIBROMO-4,5-DIHYDROXYBENZYL)-4,5-DIHYDROXYBENZYL]-METHYL_PYROGLUTAMATE
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H18Br3NO7
InChI InChI=1S/C20H18Br3NO7/c1-31-20(30)11-2-3-14(27)24(11)7-9-6-13(26)18(28)16(22)10(9)4-8-5-12(25)19(29)17(23)15(8)21/h5-6,11,25-26,28-29H,2-4,7H2,1H3
InChIKey JTKHRHBOOCMXFM-UHFFFAOYSA-N
Literature Reference Author J.ZHAO,M.MA,S.WANG,S.LI,P.CAO,Y.YANG,Y.LUE,J.SHI,N.JU,X.FAN, L.HE
Literature Reference Citation J.NAT.PROD.,68,691(2005)
Literature Reference DOI 10.1021/np040234m
Molecular Weight 624.077 g/mol
Solvent ACTONE-D6