![TERT.-BUTYL_N-[(2-S)-1,4-DIOXO-2-HYDROXY-4-[(2,3,4,6-TETRA-O-BENZYL-BETA-D-GLUCOPYRANOSYL)-AMINO]-BUTYL]-PHENYLALANINATE](/api/spectrum/96xJb5cpk13/structure.png?h=300&w=458 "TERT.-BUTYL_N-[(2-S)-1,4-DIOXO-2-HYDROXY-4-[(2,3,4,6-TETRA-O-BENZYL-BETA-D-GLUCOPYRANOSYL)-AMINO]-BUTYL]-PHENYLALANINATE")
| SpectraBase Compound ID | Cy1nphmejEv |
|---|---|
| InChI | InChI=1S/C51H58N2O10/c1-51(2,3)63-50(57)41(29-36-19-9-4-10-20-36)52-48(56)42(54)30-44(55)53-49-47(61-34-40-27-17-8-18-28-40)46(60-33-39-25-15-7-16-26-39)45(59-32-38-23-13-6-14-24-38)43(62-49)35-58-31-37-21-11-5-12-22-37/h4-28,41-43,45-47,49,54H,29-35H2,1-3H3,(H,52,56)(H,53,55)/t41?,42-,43-,45-,46+,47-,49-/m1/s1 |
| InChIKey | YDJMHSKEXXFSMN-CPYUGELVSA-N |
| Mol Weight | 859.0 g/mol |
| Molecular Formula | C51H58N2O10 |
| Exact Mass | 858.409146 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 96xJb5cpk13 |
|---|---|
| Name | TERT.-BUTYL_N-[(2-S)-1,4-DIOXO-2-HYDROXY-4-[(2,3,4,6-TETRA-O-BENZYL-BETA-D-GLUCOPYRANOSYL)-AMINO]-BUTYL]-PHENYLALANINATE |
| Compound Number | 9C/1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C51H58N2O10 |
| InChI | InChI=1S/C51H58N2O10/c1-51(2,3)63-50(57)41(29-36-19-9-4-10-20-36)52-48(56)42(54)30-44(55)53-49-47(61-34-40-27-17-8-18-28-40)46(60-33-39-25-15-7-16-26-39)45(59-32-38-23-13-6-14-24-38)43(62-49)35-58-31-37-21-11-5-12-22-37/h4-28,41-43,45-47,49,54H,29-35H2,1-3H3,(H,52,56)(H,53,55)/t41?,42-,43-,45-,46+,47-,49-/m1/s1 |
| InChIKey | YDJMHSKEXXFSMN-CPYUGELVSA-N |
| Literature Reference Author | C.BOETTCHER,J.SPENGLER,K.BURGER |
| Literature Reference Citation | MH.CHEM.,135,1225(2004) |
| Literature Reference DOI | 10.1007/s00706-004-0187-5 |
| Molecular Weight | 859.029 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWMZ11934 |