| SpectraBase Compound ID | AYqdAs3PoNB |
|---|---|
| InChI | InChI=1S/2C38H50N2O20/c2*1-18(41)39-29-26(54-20(3)43)15-38(37(49)51-9,60-34(29)32(57-23(6)46)27(55-21(4)44)16-52-19(2)42)53-17-28-31(56-22(5)45)33(58-24(7)47)30(36(50-8)59-28)40-35(48)25-13-11-10-12-14-25/h2*10-14,26-34,36H,15-17H2,1-9H3,(H,39,41)(H,40,48)/t26-,27+,28+,29+,30+,31+,32+,33+,34+,36+,38+;26-,27+,28+,29+,30+,31+,32+,33+,34+,36+,38-/m00/s1 |
| InChIKey | ZKVGKFCDZQPVIO-GGORJQJISA-N |
| Mol Weight | 1709.6 g/mol |
| Molecular Formula | C76H100N4O40 |
| Exact Mass | 1708.591384 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GVQmvpAB8c5 |
|---|---|
| Name | METHYL-2-BENZOYLAMIDO-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-GLUCOPYRANOSIDE |
| Compound Number | 31 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C76H100N4O40 |
| InChI | InChI=1S/2C38H50N2O20/c2*1-18(41)39-29-26(54-20(3)43)15-38(37(49)51-9,60-34(29)32(57-23(6)46)27(55-21(4)44)16-52-19(2)42)53-17-28-31(56-22(5)45)33(58-24(7)47)30(36(50-8)59-28)40-35(48)25-13-11-10-12-14-25/h2*10-14,26-34,36H,15-17H2,1-9H3,(H,39,41)(H,40,48)/t26-,27+,28+,29+,30+,31+,32+,33+,34+,36+,38+;26-,27+,28+,29+,30+,31+,32+,33+,34+,36+,38-/m00/s1 |
| InChIKey | ZKVGKFCDZQPVIO-GGORJQJISA-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 | 1709.633 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWLU21710 |