| SpectraBase Compound ID | 5CuQDKiVE9O |
|---|---|
| InChI | InChI=1S/2C41H48N4O19/c2*1-21(46)43-31-28(58-23(3)48)18-41(40(53)55-7,64-36(31)34(60-25(5)50)29(59-24(4)49)19-56-22(2)47)57-20-30-33(62-37(51)26-14-10-8-11-15-26)35(32(44-45-42)39(54-6)61-30)63-38(52)27-16-12-9-13-17-27/h2*8-17,28-36,39H,18-20H2,1-7H3,(H,43,46)/t28-,29+,30+,31+,32+,33+,34+,35+,36+,39+,41+;28-,29+,30+,31+,32+,33+,34+,35+,36+,39+,41-/m00/s1 |
| InChIKey | QDMDCHCFZHICNQ-MVQCTEKLSA-N |
| Mol Weight | 1801.7 g/mol |
| Molecular Formula | C82H96N8O38 |
| Exact Mass | 1800.582551 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 19hcdhnJP4P |
|---|---|
| Name | METHYL-2-AZIDO-3,4-DI-O-BENZOYL-2-DEOXY-6-O-(METHYL-4,7,8,9-TETRA-O-ACETYL-N-ACETYL-ALPHA-D-NEURAMINATE-2-YL)-BETA-D-GLUCOPYRANOSIDE |
| Compound Number | 30 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C82H96N8O38 |
| InChI | InChI=1S/2C41H48N4O19/c2*1-21(46)43-31-28(58-23(3)48)18-41(40(53)55-7,64-36(31)34(60-25(5)50)29(59-24(4)49)19-56-22(2)47)57-20-30-33(62-37(51)26-14-10-8-11-15-26)35(32(44-45-42)39(54-6)61-30)63-38(52)27-16-12-9-13-17-27/h2*8-17,28-36,39H,18-20H2,1-7H3,(H,43,46)/t28-,29+,30+,31+,32+,33+,34+,35+,36+,39+,41+;28-,29+,30+,31+,32+,33+,34+,35+,36+,39+,41-/m00/s1 |
| InChIKey | QDMDCHCFZHICNQ-MVQCTEKLSA-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 | 1801.695 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWLU21709 |