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[2-[BENZOYL-(BETA-D-GALACTOPYRANOSYL)-AMINO]-ACETYLAMINO]-ACETIC-ACID-METHYLESTER;E-ISOMER
SpectraBase Compound ID H8YPGVMmIHZ
InChI InChI=1S/2C18H24N2O9/c2*1-28-13(23)7-19-12(22)8-20(17(27)10-5-3-2-4-6-10)18-16(26)15(25)14(24)11(9-21)29-18/h2*2-6,11,14-16,18,21,24-26H,7-9H2,1H3,(H,19,22)/t2*11-,14+,15+,16-,18-/m11/s1
InChIKey PTYCALKMSZBPGA-CAAJOAICSA-N
Mol Weight 824.79 g/mol
Molecular Formula C36H48N4O18
Exact Mass 824.296361 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LGktveuvFqr
Name [2-[BENZOYL-(BETA-D-GALACTOPYRANOSYL)-AMINO]-ACETYLAMINO]-ACETIC-ACID-METHYLESTER;E-ISOMER
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C36H48N4O18
InChI InChI=1S/2C18H24N2O9/c2*1-28-13(23)7-19-12(22)8-20(17(27)10-5-3-2-4-6-10)18-16(26)15(25)14(24)11(9-21)29-18/h2*2-6,11,14-16,18,21,24-26H,7-9H2,1H3,(H,19,22)/t2*11-,14+,15+,16-,18-/m11/s1
InChIKey PTYCALKMSZBPGA-CAAJOAICSA-N
Literature Reference Author P.V.MURPHY,H.BRADLEY,M.TOSIN,N.PITT,G.M.FITZPATRICK,W.K.GLAS S
Literature Reference Citation J.ORG.CHEM.,68,5692(2003)
Literature Reference DOI 10.1021/jo034336d
Molecular Weight 824.793 g/mol
Solvent D2O
Source File Reference UWLU24253