![N(4)-[2-O-(2,3,4,6-TETRA-O-ACETYL-BETA-D-GALACTOPYRANOSYL)-ETHYL]-N(2)-TETRACOSANOYL-L-ASPARAGINE-TETRADECYLAMIDE](/api/spectrum/5ms3daiPHz7/structure.png?h=300&w=458 "N(4)-[2-O-(2,3,4,6-TETRA-O-ACETYL-BETA-D-GALACTOPYRANOSYL)-ETHYL]-N(2)-TETRACOSANOYL-L-ASPARAGINE-TETRADECYLAMIDE")
| SpectraBase Compound ID | 7OMn9S8H16v |
|---|---|
| InChI | InChI=1S/C58H105N3O13/c1-7-9-11-13-15-17-19-21-22-23-24-25-26-27-28-29-30-32-34-36-38-40-52(66)61-50(57(68)60-41-39-37-35-33-31-20-18-16-14-12-10-8-2)44-53(67)59-42-43-69-58-56(73-49(6)65)55(72-48(5)64)54(71-47(4)63)51(74-58)45-70-46(3)62/h50-51,54-56,58H,7-45H2,1-6H3,(H,59,67)(H,60,68)(H,61,66)/t50-,51-,54+,55+,56-,58-/m0/s1 |
| InChIKey | ZCKNWSFIFPECOU-OJTOIDKSSA-N |
| Mol Weight | 1052.5 g/mol |
| Molecular Formula | C58H105N3O13 |
| Exact Mass | 1051.76474 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5ms3daiPHz7 |
|---|---|
| Name | N(4)-[2-O-(2,3,4,6-TETRA-O-ACETYL-BETA-D-GALACTOPYRANOSYL)-ETHYL]-N(2)-TETRACOSANOYL-L-ASPARAGINE-TETRADECYLAMIDE |
| Compound Number | 14 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C58H105N3O13 |
| InChI | InChI=1S/C58H105N3O13/c1-7-9-11-13-15-17-19-21-22-23-24-25-26-27-28-29-30-32-34-36-38-40-52(66)61-50(57(68)60-41-39-37-35-33-31-20-18-16-14-12-10-8-2)44-53(67)59-42-43-69-58-56(73-49(6)65)55(72-48(5)64)54(71-47(4)63)51(74-58)45-70-46(3)62/h50-51,54-56,58H,7-45H2,1-6H3,(H,59,67)(H,60,68)(H,61,66)/t50-,51-,54+,55+,56-,58-/m0/s1 |
| InChIKey | ZCKNWSFIFPECOU-OJTOIDKSSA-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 | 1052.484 g/mol |
| Sample ID | 804 |
| Solvent | CDCl3 |