John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=L7ldYuzjoEC SpectraBase Spectrum ID=1UK3kP6e89f

(accessed ).
N,N-BIS-[4-(2,3,4,6-TETRA-O-ACETYL-BETA-D-GALACTOPYRANOSYL-OXY)-(E)-BENZENEPROPENYL]-1,4-BUTANEDIAMINE
SpectraBase Compound ID L7ldYuzjoEC
InChI InChI=1S/C50H60N2O22/c1-27(53)63-25-39-43(65-29(3)55)45(67-31(5)57)47(69-33(7)59)49(73-39)71-37-17-11-35(12-18-37)15-21-41(61)51-23-9-10-24-52-42(62)22-16-36-13-19-38(20-14-36)72-50-48(70-34(8)60)46(68-32(6)58)44(66-30(4)56)40(74-50)26-64-28(2)54/h11-22,39-40,43-50H,9-10,23-26H2,1-8H3,(H,51,61)(H,52,62)/b21-15+,22-16+/t39-,40-,43+,44+,45+,46+,47-,48-,49-,50-/m1/s1
InChIKey XDWPPLBSPUMTMX-VZPUTKGCSA-N
Mol Weight 1041.0 g/mol
Molecular Formula C50H60N2O22
Exact Mass 1040.363772 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1UK3kP6e89f
Name N,N-BIS-[4-(2,3,4,6-TETRA-O-ACETYL-BETA-D-GALACTOPYRANOSYL-OXY)-(E)-BENZENEPROPENYL]-1,4-BUTANEDIAMINE
Compound Number 5
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C50H60N2O22
InChI InChI=1S/C50H60N2O22/c1-27(53)63-25-39-43(65-29(3)55)45(67-31(5)57)47(69-33(7)59)49(73-39)71-37-17-11-35(12-18-37)15-21-41(61)51-23-9-10-24-52-42(62)22-16-36-13-19-38(20-14-36)72-50-48(70-34(8)60)46(68-32(6)58)44(66-30(4)56)40(74-50)26-64-28(2)54/h11-22,39-40,43-50H,9-10,23-26H2,1-8H3,(H,51,61)(H,52,62)/b21-15+,22-16+/t39-,40-,43+,44+,45+,46+,47-,48-,49-,50-/m1/s1
InChIKey XDWPPLBSPUMTMX-VZPUTKGCSA-N
Literature Reference Author R.C.FIGUEIREDO,N.B.MEYER,M.A.F.PRADO,R.J.ALVES,J.ROJO
Literature Reference Citation QUIM.NOVA,32,2128(2009)
Literature Reference DOI 10.1590/s0100-40422009000800026
Molecular Weight 1041.027 g/mol
Solvent CDCl3
Source File Reference UWBT12004
SpectraBase Batch ID DVaFsqGQjbm