![4-[2-ACETAMIDO-2-DEOXY-4-O-(2-ACETAMIDO-2-DEOXY-BETA-D-GLUCOPYRANOSYL)-BETA-D-GLUCOPYRANOSYL-OXYMETHYL]-1-BENZYL-1H-1,2,3-TRIAZOLE](/api/spectrum/DWKQJGLL9R2/structure.png?h=300&w=458 "4-[2-ACETAMIDO-2-DEOXY-4-O-(2-ACETAMIDO-2-DEOXY-BETA-D-GLUCOPYRANOSYL)-BETA-D-GLUCOPYRANOSYL-OXYMETHYL]-1-BENZYL-1H-1,2,3-TRIAZOLE")
| SpectraBase Compound ID | EDIkM8MU1ZL |
|---|---|
| InChI | InChI=1S/C26H37N5O11/c1-13(34)27-19-22(37)21(36)17(10-32)40-26(19)42-24-18(11-33)41-25(20(23(24)38)28-14(2)35)39-12-16-9-31(30-29-16)8-15-6-4-3-5-7-15/h3-7,9,17-26,32-33,36-38H,8,10-12H2,1-2H3,(H,27,34)(H,28,35)/t17-,18-,19-,20-,21-,22-,23-,24-,25-,26+/m1/s1 |
| InChIKey | WOBYKZYTLZZCLH-RPTJQTOVSA-N |
| Mol Weight | 595.6 g/mol |
| Molecular Formula | C26H37N5O11 |
| Exact Mass | 595.248957 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DWKQJGLL9R2 |
|---|---|
| Name | 4-[2-ACETAMIDO-2-DEOXY-4-O-(2-ACETAMIDO-2-DEOXY-BETA-D-GLUCOPYRANOSYL)-BETA-D-GLUCOPYRANOSYL-OXYMETHYL]-1-BENZYL-1H-1,2,3-TRIAZOLE |
| Compound Number | C1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C26H37N5O11 |
| InChI | InChI=1S/C26H37N5O11/c1-13(34)27-19-22(37)21(36)17(10-32)40-26(19)42-24-18(11-33)41-25(20(23(24)38)28-14(2)35)39-12-16-9-31(30-29-16)8-15-6-4-3-5-7-15/h3-7,9,17-26,32-33,36-38H,8,10-12H2,1-2H3,(H,27,34)(H,28,35)/t17-,18-,19-,20-,21-,22-,23-,24-,25-,26+/m1/s1 |
| InChIKey | WOBYKZYTLZZCLH-RPTJQTOVSA-N |
| Literature Reference Author | H.S.G.BECKMANN,H.M.MOELLER,V.WITTMANN |
| Literature Reference Citation | BEIL.J.ORG.CHEM.,8,819(2012) |
| Literature Reference DOI | 10.3762/bjoc.8.91 |
| Molecular Weight | 595.607 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWIR10909 |