![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]-VALINATE](/api/spectrum/LFnQ0doSnG3/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]-VALINATE")
| SpectraBase Compound ID | 5fdWRfAINqx |
|---|---|
| InChI | InChI=1S/C28H44N2O14/c1-13(2)20(25(36)44-27(7,8)9)30-26(37)28(10,38)11-19(35)29-24-23(42-17(6)34)22(41-16(5)33)21(40-15(4)32)18(43-24)12-39-14(3)31/h13,18,20-24,38H,11-12H2,1-10H3,(H,29,35)(H,30,37)/t18-,20?,21-,22+,23-,24-,28+/m1/s1 |
| InChIKey | PZMRDXAHJBZOSK-AILBHZPNSA-N |
| Mol Weight | 632.7 g/mol |
| Molecular Formula | C28H44N2O14 |
| Exact Mass | 632.279254 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LFnQ0doSnG3 |
|---|---|
| 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]-VALINATE |
| Compound Number | 9B/3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C28H44N2O14 |
| InChI | InChI=1S/C28H44N2O14/c1-13(2)20(25(36)44-27(7,8)9)30-26(37)28(10,38)11-19(35)29-24-23(42-17(6)34)22(41-16(5)33)21(40-15(4)32)18(43-24)12-39-14(3)31/h13,18,20-24,38H,11-12H2,1-10H3,(H,29,35)(H,30,37)/t18-,20?,21-,22+,23-,24-,28+/m1/s1 |
| InChIKey | PZMRDXAHJBZOSK-AILBHZPNSA-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 | 632.662 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWMZ11931 |