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[2-[ACETYL-(2,3,4,6-TETRA-O-ACETYL-BETA-D-GALACTOPYRANOSYL)-AMINO]-2-PHENYLACETYLAMINO]-ACETIC-ACID-METHYLESTER
SpectraBase Compound ID Ac2lDPIdadB
InChI InChI=1S/C27H34N2O13/c1-14(30)29(22(19-10-8-7-9-11-19)26(36)28-12-21(35)37-6)27-25(41-18(5)34)24(40-17(4)33)23(39-16(3)32)20(42-27)13-38-15(2)31/h7-11,20,22-25,27H,12-13H2,1-6H3,(H,28,36)/t20-,22?,23+,24+,25-,27-/m0/s1
InChIKey FCQHRTMLHSLRAF-POUVTFHTSA-N
Mol Weight 594.6 g/mol
Molecular Formula C27H34N2O13
Exact Mass 594.206089 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8A7oi1Z044J
Name [2-[ACETYL-(2,3,4,6-TETRA-O-ACETYL-BETA-D-GALACTOPYRANOSYL)-AMINO]-2-PHENYLACETYLAMINO]-ACETIC-ACID-METHYLESTER
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H34N2O13
InChI InChI=1S/C27H34N2O13/c1-14(30)29(22(19-10-8-7-9-11-19)26(36)28-12-21(35)37-6)27-25(41-18(5)34)24(40-17(4)33)23(39-16(3)32)20(42-27)13-38-15(2)31/h7-11,20,22-25,27H,12-13H2,1-6H3,(H,28,36)/t20-,22?,23+,24+,25-,27-/m0/s1
InChIKey FCQHRTMLHSLRAF-POUVTFHTSA-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 594.573 g/mol
Solvent CDCl3
Source File Reference UWLU24255