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TERT.-BUTYL_N-{2-OXO-2-[(3,4,6-TRI-O-ACETYL-2-ACETAMIDO-2-DEOXY-BETA-D-GLUCOPYRANOSYL)-AMINO]-ETHYL}-GLYCYLSARCOSINATE;MAJOR_ISOMER
SpectraBase Compound ID KERrReYJ59K
InChI InChI=1S/C25H40N4O12/c1-13(30)27-21-23(39-16(4)33)22(38-15(3)32)17(12-37-14(2)31)40-24(21)28-18(34)9-26-10-19(35)29(8)11-20(36)41-25(5,6)7/h17,21-24,26H,9-12H2,1-8H3,(H,27,30)(H,28,34)/t17-,21-,22-,23-,24-/m1/s1
InChIKey XQNXUIQJOIEWQM-WTZFPKOTSA-N
Mol Weight 588.6 g/mol
Molecular Formula C25H40N4O12
Exact Mass 588.264273 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CGcAsxg57xS
Name TERT.-BUTYL_N-{2-OXO-2-[(3,4,6-TRI-O-ACETYL-2-ACETAMIDO-2-DEOXY-BETA-D-GLUCOPYRANOSYL)-AMINO]-ETHYL}-GLYCYLSARCOSINATE;MINOR_ISOMER
Compound Number 5B/2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C25H40N4O12
InChI InChI=1S/C25H40N4O12/c1-13(30)27-21-23(39-16(4)33)22(38-15(3)32)17(12-37-14(2)31)40-24(21)28-18(34)9-26-10-19(35)29(8)11-20(36)41-25(5,6)7/h17,21-24,26H,9-12H2,1-8H3,(H,27,30)(H,28,34)/t17-,21-,22-,23-,24-/m1/s1
InChIKey XQNXUIQJOIEWQM-WTZFPKOTSA-N
Literature Reference Author K.BURGER,C.BOETTCHER,L.HENNIG,S.A.ESSAWY
Literature Reference Citation MH.CHEM.,135,865(2004)
Molecular Weight 588.612 g/mol
Solvent CDCl3
Source File Reference UWMZ12023