| SpectraBase Compound ID | 8vYqcgCCGwd |
|---|---|
| InChI | InChI=1S/2C38H49N3O22/c2*1-17(42)39-29-26(57-19(3)44)14-38(37(50)54-9,63-34(29)32(60-22(6)47)27(58-20(4)45)15-55-18(2)43)56-16-28-31(59-21(5)46)33(61-23(7)48)30(36(53-8)62-28)40-35(49)24-10-12-25(13-11-24)41(51)52/h2*10-13,26-34,36H,14-16H2,1-9H3,(H,39,42)(H,40,49)/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 | GWYKKJFBQZTDCU-GGORJQJISA-N |
| Mol Weight | 1799.6 g/mol |
| Molecular Formula | C76H98N6O44 |
| Exact Mass | 1798.56154 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HecvqQRzyV7 |
|---|---|
| Name | #34;METHYL-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-GLUCOPYRANOSIDE |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C76H98N6O44 |
| InChI | InChI=1S/2C38H49N3O22/c2*1-17(42)39-29-26(57-19(3)44)14-38(37(50)54-9,63-34(29)32(60-22(6)47)27(58-20(4)45)15-55-18(2)43)56-16-28-31(59-21(5)46)33(61-23(7)48)30(36(53-8)62-28)40-35(49)24-10-12-25(13-11-24)41(51)52/h2*10-13,26-34,36H,14-16H2,1-9H3,(H,39,42)(H,40,49)/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 | GWYKKJFBQZTDCU-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 | 1799.628 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWLU21713 |