![N(ALPHA)-BENZYLOXYCARBONYL-N(EPSILON)-[(6'-HYDROXY-4,4'-DIMETHOXY-DIHYDRO-CHALCONE)-2'-YLOXY]-ACETYL-L-LYSINE-BENZYLESTER](/api/spectrum/2PBhaBB7120/structure.png?h=300&w=458 "N(ALPHA)-BENZYLOXYCARBONYL-N(EPSILON)-[(6'-HYDROXY-4,4'-DIMETHOXY-DIHYDRO-CHALCONE)-2'-YLOXY]-ACETYL-L-LYSINE-BENZYLESTER")
| SpectraBase Compound ID | LW3tO69uBcK |
|---|---|
| InChI | InChI=1S/C40H44N2O10/c1-48-31-19-16-28(17-20-31)18-21-34(43)38-35(44)23-32(49-2)24-36(38)50-27-37(45)41-22-10-9-15-33(39(46)51-25-29-11-5-3-6-12-29)42-40(47)52-26-30-13-7-4-8-14-30/h3-8,11-14,16-17,19-20,23-24,33,44H,9-10,15,18,21-22,25-27H2,1-2H3,(H,41,45)(H,42,47)/t33-/m0/s1 |
| InChIKey | KYEAGSSDYZJTIN-XIFFEERXSA-N |
| Mol Weight | 712.8 g/mol |
| Molecular Formula | C40H44N2O10 |
| Exact Mass | 712.299596 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2PBhaBB7120 |
|---|---|
| Name | N(ALPHA)-BENZYLOXYCARBONYL-N(EPSILON)-[(6'-HYDROXY-4,4'-DIMETHOXY-DIHYDRO-CHALCONE)-2'-YLOXY]-ACETYL-L-LYSINE-BENZYLESTER |
| Compound Number | 13 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C40H44N2O10 |
| InChI | InChI=1S/C40H44N2O10/c1-48-31-19-16-28(17-20-31)18-21-34(43)38-35(44)23-32(49-2)24-36(38)50-27-37(45)41-22-10-9-15-33(39(46)51-25-29-11-5-3-6-12-29)42-40(47)52-26-30-13-7-4-8-14-30/h3-8,11-14,16-17,19-20,23-24,33,44H,9-10,15,18,21-22,25-27H2,1-2H3,(H,41,45)(H,42,47)/t33-/m0/s1 |
| InChIKey | KYEAGSSDYZJTIN-XIFFEERXSA-N |
| Literature Reference Author | S.KAMIYA,S.ESAKI,N.SHIBA,T.HOSHI |
| Literature Reference Citation | AGR.BIOL.CHEM.,53,1365(1989) |
| Literature Reference DOI | 10.1271/bbb1961.53.1365 |
| Molecular Weight | 712.797 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWIR7679 |