| SpectraBase Compound ID | 80Gr5rPUvQ5 |
|---|---|
| InChI | InChI=1S/2C41H54N6O23/c2*1-20(48)44-32-29(64-22(3)50)17-41(40(56)59-8,70-37(32)35(67-25(6)53)30(65-23(4)51)18-62-21(2)49)63-19-31-34(66-24(5)52)36(68-26(7)54)33(39(69-31)61-16-15-60-14-13-43-46-42)45-38(55)27-9-11-28(12-10-27)47(57)58/h2*9-12,29-37,39H,13-19H2,1-8H3,(H,44,48)(H,45,55)/t29-,30-,31+,32+,33+,34+,35+,36+,37+,39+,41+;29-,30-,31+,32+,33+,34+,35+,36+,37+,39+,41-/m00/s1 |
| InChIKey | GUQLWVOZBMYGDL-HARQVGLFSA-N |
| Mol Weight | 1997.8 g/mol |
| Molecular Formula | C82H108N12O46 |
| Exact Mass | 1996.648064 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7vggkjHywLT |
|---|---|
| Name | #47;1-AZIDO-3-OXOPENTYL-2-(4-NITROBENZOYL)-AMIDO-3,4-DI-O-ACETYL-2-DEOXY-6-O-(METHYL-4,7,8,9-TETRA-O-ACETYL-N-ACETYL-ALPHA-D-NEURAMINATE-2-YL)-BETA-D-GLUCOPYR |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C82H108N12O46 |
| InChI | InChI=1S/2C41H54N6O23/c2*1-20(48)44-32-29(64-22(3)50)17-41(40(56)59-8,70-37(32)35(67-25(6)53)30(65-23(4)51)18-62-21(2)49)63-19-31-34(66-24(5)52)36(68-26(7)54)33(39(69-31)61-16-15-60-14-13-43-46-42)45-38(55)27-9-11-28(12-10-27)47(57)58/h2*9-12,29-37,39H,13-19H2,1-8H3,(H,44,48)(H,45,55)/t29-,30-,31+,32+,33+,34+,35+,36+,37+,39+,41+;29-,30-,31+,32+,33+,34+,35+,36+,37+,39+,41-/m00/s1 |
| InChIKey | GUQLWVOZBMYGDL-HARQVGLFSA-N |
| Literature Reference Author | L.A.J.M.SLIEDREGT,S.M.W.V.ROSSENBERG,R.AUTAR,A.R.P.M.VALENTI JN,G.A.V.D.MAREL, |
| Literature Reference Citation | BIOORG.MED.CHEM.,9,85(2001) |
| Literature Reference DOI | 10.1016/S0968-0896(00)00224-8 |
| Molecular Weight | 1997.812 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWLU21720 |