![N,N-BIS-[4-(2,3,4,6-TETRA-O-ACETYL-BETA-D-GALACTOPYRANOSYL-OXY)-(E)-BENZENEPROPENYL]-1,4-BUTANEDIAMINE](/api/spectrum/1UK3kP6e89f/structure.png?h=300&w=458 "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
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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 © 2016-2024 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 |