| SpectraBase Compound ID | EJyLeGloc3L |
|---|---|
| InChI | InChI=1S/C34H46N2O20S2/c1-20(37)36-24-25(38)27(56-58(46,47)48)23(19-52-57(43,44)45)53-32(24)54-29-28(50-17-21-11-5-2-6-12-21)26(39)33(55-30(29)31(40)41)49-16-10-4-9-15-35-34(42)51-18-22-13-7-3-8-14-22/h2-3,5-8,11-14,23-30,32-33,38-39H,4,9-10,15-19H2,1H3,(H,35,42)(H,36,37)(H,40,41)(H,43,44,45)(H,46,47,48)/t23-,24-,25-,26-,27+,28-,29+,30+,32+,33-/m1/s1 |
| InChIKey | ARLHAQGCOSBJLI-NEQQNNBGSA-N |
| Mol Weight | 866.9 g/mol |
| Molecular Formula | C34H46N2O20S2 |
| Exact Mass | 866.208534 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AUKmmA7LX8S |
|---|---|
| Name | N-BENZYLOXYCARBONYL-5-AMINOPENTYL-4-O-(2-ACETAMIDO-2-DEOXY-4,6-DI-O-SULFO-BETA-D-GALACTOPYRANOSYL)-3-O-BENZYL-BETA-D-GLUCOPYRANOSIDURONIC-ACID |
| Compound Number | 21 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C34H46N2O20S2 |
| InChI | InChI=1S/C34H46N2O20S2/c1-20(37)36-24-25(38)27(56-58(46,47)48)23(19-52-57(43,44)45)53-32(24)54-29-28(50-17-21-11-5-2-6-12-21)26(39)33(55-30(29)31(40)41)49-16-10-4-9-15-35-34(42)51-18-22-13-7-3-8-14-22/h2-3,5-8,11-14,23-30,32-33,38-39H,4,9-10,15-19H2,1H3,(H,35,42)(H,36,37)(H,40,41)(H,43,44,45)(H,46,47,48)/t23-,24-,25-,26-,27+,28-,29+,30+,32+,33-/m1/s1 |
| InChIKey | ARLHAQGCOSBJLI-NEQQNNBGSA-N |
| Literature Reference Author | G.MACCHIONE,S.MAZA,M.M.KAYSER,J.L.DEPAZ,P.M.NIETO |
| Literature Reference Citation | EUR.J.ORG.CHEM.,2014,3868(2014) |
| Literature Reference DOI | 10.1002/ejoc.201402222 |
| Molecular Weight | 866.861 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWLU85327 |