![TERT.-BUTYL_N-[(2-S)-1,4-DIOXO-2-HYDROXY-4-[(2,3,4,6-TETRA-O-ACETYL-BETA-D-GLUCOPYRANOSYL)-AMINO]-BUTYL]-VALINATE](/api/spectrum/4GKYcqV4Ecv/structure.png?h=300&w=458 "TERT.-BUTYL_N-[(2-S)-1,4-DIOXO-2-HYDROXY-4-[(2,3,4,6-TETRA-O-ACETYL-BETA-D-GLUCOPYRANOSYL)-AMINO]-BUTYL]-VALINATE")
| SpectraBase Compound ID | 2YhSJ69apu7 |
|---|---|
| InChI | InChI=1S/C27H42N2O14/c1-12(2)20(26(37)43-27(7,8)9)29-24(36)17(34)10-19(35)28-25-23(41-16(6)33)22(40-15(5)32)21(39-14(4)31)18(42-25)11-38-13(3)30/h12,17-18,20-23,25,34H,10-11H2,1-9H3,(H,28,35)(H,29,36)/t17-,18-,20?,21-,22+,23-,25-/m1/s1 |
| InChIKey | NXWKHYLSWLFZCQ-HRDDCZPZSA-N |
| Mol Weight | 618.6 g/mol |
| Molecular Formula | C27H42N2O14 |
| Exact Mass | 618.263604 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4GKYcqV4Ecv |
|---|---|
| Name | TERT.-BUTYL_N-[(2-S)-1,4-DIOXO-2-HYDROXY-4-[(2,3,4,6-TETRA-O-ACETYL-BETA-D-GLUCOPYRANOSYL)-AMINO]-BUTYL]-VALINATE |
| Compound Number | 9A/3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C27H42N2O14 |
| InChI | InChI=1S/C27H42N2O14/c1-12(2)20(26(37)43-27(7,8)9)29-24(36)17(34)10-19(35)28-25-23(41-16(6)33)22(40-15(5)32)21(39-14(4)31)18(42-25)11-38-13(3)30/h12,17-18,20-23,25,34H,10-11H2,1-9H3,(H,28,35)(H,29,36)/t17-,18-,20?,21-,22+,23-,25-/m1/s1 |
| InChIKey | NXWKHYLSWLFZCQ-HRDDCZPZSA-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 | 618.635 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWMZ11925 |