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TERT.-BUTYL_N-BENZOYLGLYCYL-N-{2-OXO-2-[(2,3,4,6-TETRA-O-ACETYL-BETA-D-GALACTOPYRANOSYL)-AMINO]-ETHYL}-GLYCYLLEUCINATE;MAJOR_ISOMER
SpectraBase Compound ID AuGnJRbwgR2
InChI InChI=1S/C37H52N4O15/c1-20(2)15-26(36(50)56-37(7,8)9)39-28(46)17-41(30(48)16-38-34(49)25-13-11-10-12-14-25)18-29(47)40-35-33(54-24(6)45)32(53-23(5)44)31(52-22(4)43)27(55-35)19-51-21(3)42/h10-14,20,26-27,31-33,35H,15-19H2,1-9H3,(H,38,49)(H,39,46)(H,40,47)/t26?,27-,31+,32+,33-,35-/m1/s1
InChIKey SBXKZRUZVNVEFT-GTFBNPCDSA-N
Mol Weight 792.8 g/mol
Molecular Formula C37H52N4O15
Exact Mass 792.342917 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Aj8kgvA7pdV
Name TERT.-BUTYL_N-BENZOYLGLYCYL-N-{2-OXO-2-[(2,3,4,6-TETRA-O-ACETYL-BETA-D-GALACTOPYRANOSYL)-AMINO]-ETHYL}-GLYCYLLEUCINATE;MINOR_ISOMER
Compound Number 8C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C37H52N4O15
InChI InChI=1S/C37H52N4O15/c1-20(2)15-26(36(50)56-37(7,8)9)39-28(46)17-41(30(48)16-38-34(49)25-13-11-10-12-14-25)18-29(47)40-35-33(54-24(6)45)32(53-23(5)44)31(52-22(4)43)27(55-35)19-51-21(3)42/h10-14,20,26-27,31-33,35H,15-19H2,1-9H3,(H,38,49)(H,39,46)(H,40,47)/t26?,27-,31+,32+,33-,35-/m1/s1
InChIKey SBXKZRUZVNVEFT-GTFBNPCDSA-N
Literature Reference Author K.BURGER,C.BOETTCHER,L.HENNIG,S.A.ESSAWY
Literature Reference Citation MH.CHEM.,135,865(2004)
Molecular Weight 792.838 g/mol
Solvent CDCl3
Source File Reference UWMZ12027