![#21;O-[METHYL-(5-ACETAMIDO-4,7,8,9-TETRA-O-ACETYL-3,5-DIDEOXY-D-GLYCERO-ALPHA-D-GALACTO-2-NONULOPYRANOSYL)-ONATE]-(2->6)-O-(2-ACETAMIDO-3,4-DI-O-ACETYL-2-DEOXY](/api/spectrum/ETlT5y3jYlv/structure.png?h=300&w=458 "#21;O-[METHYL-(5-ACETAMIDO-4,7,8,9-TETRA-O-ACETYL-3,5-DIDEOXY-D-GLYCERO-ALPHA-D-GALACTO-2-NONULOPYRANOSYL)-ONATE]-(2->6)-O-(2-ACETAMIDO-3,4-DI-O-ACETYL-2-DEOXY")
| SpectraBase Compound ID | LTJB8LfN4Mx |
|---|---|
| InChI | InChI=1S/C45H58Cl3N3O24/c1-21(52)49-34-31(69-24(4)55)15-44(42(61)63-9,75-39(34)37(72-27(7)58)32(70-25(5)56)18-64-23(3)54)68-19-33-36(71-26(6)57)38(73-28(8)59)35(50-22(2)53)41(74-33)66-17-30(51-43(62)67-20-45(46,47)48)40(60)65-16-29-13-11-10-12-14-29/h10-14,30-39,41H,15-20H2,1-9H3,(H,49,52)(H,50,53)(H,51,62)/t30-,31+,32+,33-,34-,35-,36+,37-,38-,39-,41+,44-/m1/s1 |
| InChIKey | XCSOAEPRJPIROU-IBJVSXMYSA-N |
| Mol Weight | 1131.3 g/mol |
| Molecular Formula | C45H58Cl3N3O24 |
| Exact Mass | 1129.247583 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | ETlT5y3jYlv |
|---|---|
| Name | #21;O-[METHYL-(5-ACETAMIDO-4,7,8,9-TETRA-O-ACETYL-3,5-DIDEOXY-D-GLYCERO-ALPHA-D-GALACTO-2-NONULOPYRANOSYL)-ONATE]-(2->6)-O-(2-ACETAMIDO-3,4-DI-O-ACETYL-2-DEOXY |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C45H58Cl3N3O24 |
| InChI | InChI=1S/C45H58Cl3N3O24/c1-21(52)49-34-31(69-24(4)55)15-44(42(61)63-9,75-39(34)37(72-27(7)58)32(70-25(5)56)18-64-23(3)54)68-19-33-36(71-26(6)57)38(73-28(8)59)35(50-22(2)53)41(74-33)66-17-30(51-43(62)67-20-45(46,47)48)40(60)65-16-29-13-11-10-12-14-29/h10-14,30-39,41H,15-20H2,1-9H3,(H,49,52)(H,50,53)(H,51,62)/t30-,31+,32+,33-,34-,35-,36+,37-,38-,39-,41+,44-/m1/s1 |
| InChIKey | XCSOAEPRJPIROU-IBJVSXMYSA-N |
| Literature Reference Author | K.MIYAJIMA,T.NEKADO,K.IKEDA,K.ACHIWA |
| Literature Reference Citation | CHEM.PHARM.BULL.,46,1676(1998) |
| Literature Reference DOI | 10.1248/cpb.46.1676 |
| Molecular Weight | 1131.320 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWMS20776 |