![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/2exNPy4xouZ/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 | Ash9BuPiv1t |
|---|---|
| InChI | InChI=1S/C52H60N2O10/c1-51(2,3)64-49(56)42(30-37-20-10-5-11-21-37)53-50(57)52(4,58)31-44(55)54-48-47(62-35-41-28-18-9-19-29-41)46(61-34-40-26-16-8-17-27-40)45(60-33-39-24-14-7-15-25-39)43(63-48)36-59-32-38-22-12-6-13-23-38/h5-29,42-43,45-48,58H,30-36H2,1-4H3,(H,53,57)(H,54,55)/t42?,43-,45-,46+,47-,48-,52+/m1/s1 |
| InChIKey | RJDYAKXSENUJHM-QDOMMPBSSA-N |
| Mol Weight | 873.1 g/mol |
| Molecular Formula | C52H60N2O10 |
| Exact Mass | 872.424796 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2exNPy4xouZ |
|---|---|
| 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/1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C52H60N2O10 |
| InChI | InChI=1S/C52H60N2O10/c1-51(2,3)64-49(56)42(30-37-20-10-5-11-21-37)53-50(57)52(4,58)31-44(55)54-48-47(62-35-41-28-18-9-19-29-41)46(61-34-40-26-16-8-17-27-40)45(60-33-39-24-14-7-15-25-39)43(63-48)36-59-32-38-22-12-6-13-23-38/h5-29,42-43,45-48,58H,30-36H2,1-4H3,(H,53,57)(H,54,55)/t42?,43-,45-,46+,47-,48-,52+/m1/s1 |
| InChIKey | RJDYAKXSENUJHM-QDOMMPBSSA-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 | 873.056 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWMZ11937 |