![TERT.-BUTYL_N-[(2-S)-1,4-DIOXO-1-HYDROXY-2-METHYL-4-[(2,3,4,6-TETRA-O-ACETYL-BETA-D-GLUCOPYRANOSYL)-AMINO]-BUTYL]-ALANINATE](/api/spectrum/6dI1fdmw9sX/structure.png?h=300&w=458 "TERT.-BUTYL_N-[(2-S)-1,4-DIOXO-1-HYDROXY-2-METHYL-4-[(2,3,4,6-TETRA-O-ACETYL-BETA-D-GLUCOPYRANOSYL)-AMINO]-BUTYL]-ALANINATE")
| SpectraBase Compound ID | I7NQ9OmiWS2 |
|---|---|
| InChI | InChI=1S/C26H40N2O14/c1-12(23(34)42-25(6,7)8)27-24(35)26(9,36)10-18(33)28-22-21(40-16(5)32)20(39-15(4)31)19(38-14(3)30)17(41-22)11-37-13(2)29/h12,17,19-22,36H,10-11H2,1-9H3,(H,27,35)(H,28,33)/t12?,17-,19-,20+,21-,22-,26+/m1/s1 |
| InChIKey | GWFDWYIJMRBBID-BALMGFCESA-N |
| Mol Weight | 604.6 g/mol |
| Molecular Formula | C26H40N2O14 |
| Exact Mass | 604.247954 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6dI1fdmw9sX |
|---|---|
| Name | TERT.-BUTYL_N-[(2-S)-1,4-DIOXO-1-HYDROXY-2-METHYL-4-[(2,3,4,6-TETRA-O-ACETYL-BETA-D-GLUCOPYRANOSYL)-AMINO]-BUTYL]-ALANINATE |
| Compound Number | 9B/2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C26H40N2O14 |
| InChI | InChI=1S/C26H40N2O14/c1-12(23(34)42-25(6,7)8)27-24(35)26(9,36)10-18(33)28-22-21(40-16(5)32)20(39-15(4)31)19(38-14(3)30)17(41-22)11-37-13(2)29/h12,17,19-22,36H,10-11H2,1-9H3,(H,27,35)(H,28,33)/t12?,17-,19-,20+,21-,22-,26+/m1/s1 |
| InChIKey | GWFDWYIJMRBBID-BALMGFCESA-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 | 604.609 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWMZ11930 |