![TERT.-BUTYL_N-[(2-S)-1,4-DIOXO-2-HYDROXY-2-METHYL-4-[(2,3,4,6-TETRA-O-BENZYL-BETA-D-GLUCOPYRANOSYL)-AMINO]-BUTYL]-PHENYLALANINATE](/api/spectrum/9y2NKShr82K/structure.png?h=300&w=458 "TERT.-BUTYL_N-[(2-S)-1,4-DIOXO-2-HYDROXY-2-METHYL-4-[(2,3,4,6-TETRA-O-BENZYL-BETA-D-GLUCOPYRANOSYL)-AMINO]-BUTYL]-PHENYLALANINATE")
| SpectraBase Compound ID | mwZP5kKZiP |
|---|---|
| InChI | InChI=1S/C55H65N3O12/c1-38(51(60)69-54(2,3)4)58-70-52(61)44(31-39-21-11-6-12-22-39)56-53(62)55(5,63)32-46(59)57-50-49(67-36-43-29-19-10-20-30-43)48(66-35-42-27-17-9-18-28-42)47(65-34-41-25-15-8-16-26-41)45(68-50)37-64-33-40-23-13-7-14-24-40/h6-30,38,44-45,47-50,58,63H,31-37H2,1-5H3,(H,56,62)(H,57,59)/t38?,44?,45-,47-,48+,49-,50-,55+/m1/s1 |
| InChIKey | ZDBVQOXGJAFPIH-NLBKWUCRSA-N |
| Mol Weight | 960.1 g/mol |
| Molecular Formula | C55H65N3O12 |
| Exact Mass | 959.456825 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9y2NKShr82K |
|---|---|
| Name | TERT.-BUTYL_N-[(2-S)-1,4-DIOXO-2-HYDROXY-2-METHYL-4-[(2,3,4,6-TETRA-O-BENZYL-BETA-D-GLUCOPYRANOSYL)-AMINO]-BUTYL]-PHENYLALANINATE |
| Compound Number | 9D/3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C55H65N3O12 |
| InChI | InChI=1S/C55H65N3O12/c1-38(51(60)69-54(2,3)4)58-70-52(61)44(31-39-21-11-6-12-22-39)56-53(62)55(5,63)32-46(59)57-50-49(67-36-43-29-19-10-20-30-43)48(66-35-42-27-17-9-18-28-42)47(65-34-41-25-15-8-16-26-41)45(68-50)37-64-33-40-23-13-7-14-24-40/h6-30,38,44-45,47-50,58,63H,31-37H2,1-5H3,(H,56,62)(H,57,59)/t38?,44?,45-,47-,48+,49-,50-,55+/m1/s1 |
| InChIKey | ZDBVQOXGJAFPIH-NLBKWUCRSA-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 | 960.134 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWMZ11940 |