| SpectraBase Compound ID | JaxyzXgfyO6 |
|---|---|
| InChI | InChI=1S/2C43H52N2O20/c2*1-22(46)44-33-30(59-25(4)49)19-43(42(54)56-8,65-38(33)36(61-27(6)51)31(60-26(5)50)20-57-24(3)48)58-21-32-35(63-39(52)28-15-11-9-12-16-28)37(34(45-23(2)47)41(55-7)62-32)64-40(53)29-17-13-10-14-18-29/h2*9-18,30-38,41H,19-21H2,1-8H3,(H,44,46)(H,45,47)/t30-,31+,32+,33+,34+,35+,36+,37+,38+,41+,43+;30-,31+,32+,33+,34+,35+,36+,37+,38+,41+,43-/m00/s1 |
| InChIKey | LOGVXEYHKPWSRD-JMPLMKQKSA-N |
| Mol Weight | 1833.8 g/mol |
| Molecular Formula | C86H104N4O40 |
| Exact Mass | 1832.622684 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7zdsuZVsqYi |
|---|---|
| Name | METHYL-2-ACETAMIDO-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 | 27 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C86H104N4O40 |
| InChI | InChI=1S/2C43H52N2O20/c2*1-22(46)44-33-30(59-25(4)49)19-43(42(54)56-8,65-38(33)36(61-27(6)51)31(60-26(5)50)20-57-24(3)48)58-21-32-35(63-39(52)28-15-11-9-12-16-28)37(34(45-23(2)47)41(55-7)62-32)64-40(53)29-17-13-10-14-18-29/h2*9-18,30-38,41H,19-21H2,1-8H3,(H,44,46)(H,45,47)/t30-,31+,32+,33+,34+,35+,36+,37+,38+,41+,43+;30-,31+,32+,33+,34+,35+,36+,37+,38+,41+,43-/m00/s1 |
| InChIKey | LOGVXEYHKPWSRD-JMPLMKQKSA-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 | 1833.775 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWLU21706 |