| SpectraBase Compound ID | Ggy13Tg80NE |
|---|---|
| InChI | InChI=1S/2C48H53N3O22/c2*1-25(52)49-38-35(66-28(4)55)22-48(47(60)63-7,73-43(38)41(68-30(6)57)36(67-29(5)56)23-64-27(3)54)65-24-37-40(71-44(58)31-14-10-8-11-15-31)42(72-45(59)32-16-12-9-13-17-32)39(50-26(2)53)46(70-37)69-34-20-18-33(19-21-34)51(61)62/h2*8-21,35-43,46H,22-24H2,1-7H3,(H,49,52)(H,50,53)/t35-,36+,37+,38+,39+,40+,41+,42+,43+,46+,48+;35-,36+,37+,38+,39+,40+,41+,42+,43+,46+,48-/m00/s1 |
| InChIKey | QTHLKFLDSXFYNU-SKBGTJBKSA-N |
| Mol Weight | 2047.9 g/mol |
| Molecular Formula | C96H106N6O44 |
| Exact Mass | 2046.624141 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8ytEmf0aTzn |
|---|---|
| Name | #29;4-NITROPHENYL-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 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C96H106N6O44 |
| InChI | InChI=1S/2C48H53N3O22/c2*1-25(52)49-38-35(66-28(4)55)22-48(47(60)63-7,73-43(38)41(68-30(6)57)36(67-29(5)56)23-64-27(3)54)65-24-37-40(71-44(58)31-14-10-8-11-15-31)42(72-45(59)32-16-12-9-13-17-32)39(50-26(2)53)46(70-37)69-34-20-18-33(19-21-34)51(61)62/h2*8-21,35-43,46H,22-24H2,1-7H3,(H,49,52)(H,50,53)/t35-,36+,37+,38+,39+,40+,41+,42+,43+,46+,48+;35-,36+,37+,38+,39+,40+,41+,42+,43+,46+,48-/m00/s1 |
| InChIKey | QTHLKFLDSXFYNU-SKBGTJBKSA-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 | 2047.911 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWLU21708 |