![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/BeYbdVCeYYX/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 | 66LV83roktK |
|---|---|
| InChI | InChI=1S/C54H63N3O12/c1-37(52(61)68-54(2,3)4)57-69-53(62)43(30-38-20-10-5-11-21-38)55-50(60)44(58)31-46(59)56-51-49(66-35-42-28-18-9-19-29-42)48(65-34-41-26-16-8-17-27-41)47(64-33-40-24-14-7-15-25-40)45(67-51)36-63-32-39-22-12-6-13-23-39/h5-29,37,43-45,47-49,51,57-58H,30-36H2,1-4H3,(H,55,60)(H,56,59)/t37?,43?,44-,45-,47-,48+,49-,51-/m1/s1 |
| InChIKey | HHTVFCWRGJMENM-VSRBBQAISA-N |
| Mol Weight | 946.1 g/mol |
| Molecular Formula | C54H63N3O12 |
| Exact Mass | 945.441174 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BeYbdVCeYYX |
|---|---|
| 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/3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C54H63N3O12 |
| InChI | InChI=1S/C54H63N3O12/c1-37(52(61)68-54(2,3)4)57-69-53(62)43(30-38-20-10-5-11-21-38)55-50(60)44(58)31-46(59)56-51-49(66-35-42-28-18-9-19-29-42)48(65-34-41-26-16-8-17-27-41)47(64-33-40-24-14-7-15-25-40)45(67-51)36-63-32-39-22-12-6-13-23-39/h5-29,37,43-45,47-49,51,57-58H,30-36H2,1-4H3,(H,55,60)(H,56,59)/t37?,43?,44-,45-,47-,48+,49-,51-/m1/s1 |
| InChIKey | HHTVFCWRGJMENM-VSRBBQAISA-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 | 946.107 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWMZ11936 |