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N(4)-(2,3,4,6-TETRA-O-ACETYL-BETA-D-GALACTOPYRANOSYL)-N(2)-TETRACOSANOYL-L-ASPARAGINE-TETRADECYLAMIDE
SpectraBase Compound ID CVQRhQGLJLt
InChI InChI=1S/C56H101N3O12/c1-7-9-11-13-15-17-19-21-22-23-24-25-26-27-28-29-30-32-34-36-38-40-50(64)58-48(55(66)57-41-39-37-35-33-31-20-18-16-14-12-10-8-2)42-51(65)59-56-54(70-47(6)63)53(69-46(5)62)52(68-45(4)61)49(71-56)43-67-44(3)60/h48-49,52-54,56H,7-43H2,1-6H3,(H,57,66)(H,58,64)(H,59,65)/t48-,49-,52+,53+,54-,56-/m0/s1
InChIKey CIKKNHQAIWQZHV-QVVSPOGUSA-N
Mol Weight 1008.4 g/mol
Molecular Formula C56H101N3O12
Exact Mass 1007.738526 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 45gRWSrMXy0
Name N(4)-(2,3,4,6-TETRA-O-ACETYL-BETA-D-GALACTOPYRANOSYL)-N(2)-TETRACOSANOYL-L-ASPARAGINE-TETRADECYLAMIDE
Compound Number 19
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C56H101N3O12
InChI InChI=1S/C56H101N3O12/c1-7-9-11-13-15-17-19-21-22-23-24-25-26-27-28-29-30-32-34-36-38-40-50(64)58-48(55(66)57-41-39-37-35-33-31-20-18-16-14-12-10-8-2)42-51(65)59-56-54(70-47(6)63)53(69-46(5)62)52(68-45(4)61)49(71-56)43-67-44(3)60/h48-49,52-54,56H,7-43H2,1-6H3,(H,57,66)(H,58,64)(H,59,65)/t48-,49-,52+,53+,54-,56-/m0/s1
InChIKey CIKKNHQAIWQZHV-QVVSPOGUSA-N
Literature Reference Author T.VELASCO-TORRIJOS,L.ABBEY,R.O.FLAHERTY
Literature Reference Citation MOLECULES,17,11346(2012)
Literature Reference DOI 10.3390/molecules171011346
Molecular Weight 1008.431 g/mol
Sample ID 810
Solvent CDCl3