![TERT.-BUTYL_N-[(2-S)-1,4-DIOXO-2-HYDROXY-2-METHYL-4-[(2,3,4,6-TETRA-O-ACETYL-BETA-D-GLUCOPYRANOSYL)-AMINO]-BUTYL]-PHENYLALANINATE](/api/spectrum/AwHOW64tuyq/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-ACETYL-BETA-D-GLUCOPYRANOSYL)-AMINO]-BUTYL]-PHENYLALANINATE")
| SpectraBase Compound ID | DGYems23VmY |
|---|---|
| InChI | InChI=1S/C32H44N2O14/c1-17(35)43-16-23-25(44-18(2)36)26(45-19(3)37)27(46-20(4)38)28(47-23)34-24(39)15-32(8,42)30(41)33-22(29(40)48-31(5,6)7)14-21-12-10-9-11-13-21/h9-13,22-23,25-28,42H,14-16H2,1-8H3,(H,33,41)(H,34,39)/t22?,23-,25-,26+,27-,28-,32+/m1/s1 |
| InChIKey | ZKTCJQSIIBXZIV-AHFNOKSHSA-N |
| Mol Weight | 680.7 g/mol |
| Molecular Formula | C32H44N2O14 |
| Exact Mass | 680.279254 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AwHOW64tuyq |
|---|---|
| Name | TERT.-BUTYL_N-[(2-S)-1,4-DIOXO-2-HYDROXY-2-METHYL-4-[(2,3,4,6-TETRA-O-ACETYL-BETA-D-GLUCOPYRANOSYL)-AMINO]-BUTYL]-PHENYLALANINATE |
| Compound Number | 9B/4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C32H44N2O14 |
| InChI | InChI=1S/C32H44N2O14/c1-17(35)43-16-23-25(44-18(2)36)26(45-19(3)37)27(46-20(4)38)28(47-23)34-24(39)15-32(8,42)30(41)33-22(29(40)48-31(5,6)7)14-21-12-10-9-11-13-21/h9-13,22-23,25-28,42H,14-16H2,1-8H3,(H,33,41)(H,34,39)/t22?,23-,25-,26+,27-,28-,32+/m1/s1 |
| InChIKey | ZKTCJQSIIBXZIV-AHFNOKSHSA-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 | 680.706 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWMZ11932 |