![#B1;4-[2-ACETAMIDO-3,6-DI-O-ACETYL-2-DEOXY-4-O-(2-ACETAMIDO-3,4,6-TRI-O-ACETYL-2-DEOXY-BETA-D-GLUCOPYRANOSYL)-BETA-D-GLUCOPYRANOSYL-OXYMETHYL]-1-BENZYL-](/api/spectrum/6JxKtmMSExI/structure.png?h=300&w=458 "#B1;4-[2-ACETAMIDO-3,6-DI-O-ACETYL-2-DEOXY-4-O-(2-ACETAMIDO-3,4,6-TRI-O-ACETYL-2-DEOXY-BETA-D-GLUCOPYRANOSYL)-BETA-D-GLUCOPYRANOSYL-OXYMETHYL]-1-BENZYL-")
| SpectraBase Compound ID | 2owcEsyc4Za |
|---|---|
| InChI | InChI=1S/C36H47N5O16/c1-18(42)37-29-33(53-23(6)47)32(28(17-50-21(4)45)55-35(29)51-15-26-14-41(40-39-26)13-25-11-9-8-10-12-25)57-36-30(38-19(2)43)34(54-24(7)48)31(52-22(5)46)27(56-36)16-49-20(3)44/h8-12,14,27-36H,13,15-17H2,1-7H3,(H,37,42)(H,38,43)/t27-,28-,29-,30-,31-,32-,33-,34-,35-,36+/m1/s1 |
| InChIKey | CQFGGNFZMZDFRJ-ITZNPIHHSA-N |
| Mol Weight | 805.8 g/mol |
| Molecular Formula | C36H47N5O16 |
| Exact Mass | 805.30178 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6JxKtmMSExI |
|---|---|
| Name | #B1;4-[2-ACETAMIDO-3,6-DI-O-ACETYL-2-DEOXY-4-O-(2-ACETAMIDO-3,4,6-TRI-O-ACETYL-2-DEOXY-BETA-D-GLUCOPYRANOSYL)-BETA-D-GLUCOPYRANOSYL-OXYMETHYL]-1-BENZYL- |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C36H47N5O16 |
| InChI | InChI=1S/C36H47N5O16/c1-18(42)37-29-33(53-23(6)47)32(28(17-50-21(4)45)55-35(29)51-15-26-14-41(40-39-26)13-25-11-9-8-10-12-25)57-36-30(38-19(2)43)34(54-24(7)48)31(52-22(5)46)27(56-36)16-49-20(3)44/h8-12,14,27-36H,13,15-17H2,1-7H3,(H,37,42)(H,38,43)/t27-,28-,29-,30-,31-,32-,33-,34-,35-,36+/m1/s1 |
| InChIKey | CQFGGNFZMZDFRJ-ITZNPIHHSA-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 | 805.793 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWIR10901 |