| SpectraBase Compound ID | CtmRIux3dJH |
|---|---|
| InChI | InChI=1S/C34H46N2O17S/c1-20(37)36-24-26(39)25(38)23(19-50-54(44,45)46)51-32(24)52-29-28(48-17-21-11-5-2-6-12-21)27(40)33(53-30(29)31(41)42)47-16-10-4-9-15-35-34(43)49-18-22-13-7-3-8-14-22/h2-3,5-8,11-14,23-30,32-33,38-40H,4,9-10,15-19H2,1H3,(H,35,43)(H,36,37)(H,41,42)(H,44,45,46)/t23-,24-,25+,26-,27-,28-,29+,30+,32+,33-/m1/s1 |
| InChIKey | VPJVXCRVDDFMOU-IHIDQORYSA-N |
| Mol Weight | 786.8 g/mol |
| Molecular Formula | C34H46N2O17S |
| Exact Mass | 786.251719 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 32ABQ6EcDTZ |
|---|---|
| Name | N-BENZYLOXYCARBONYL-5-AMINOPENTYL-4-O-(2-ACETAMIDO-2-DEOXY-6-O-SULFO-BETA-D-GALACTOPYRANOSYL)-3-O-BENZYL-BETA-D-GLUCOPYRANOSIDURONIC-ACID |
| Compound Number | 25 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C34H46N2O17S |
| InChI | InChI=1S/C34H46N2O17S/c1-20(37)36-24-26(39)25(38)23(19-50-54(44,45)46)51-32(24)52-29-28(48-17-21-11-5-2-6-12-21)27(40)33(53-30(29)31(41)42)47-16-10-4-9-15-35-34(43)49-18-22-13-7-3-8-14-22/h2-3,5-8,11-14,23-30,32-33,38-40H,4,9-10,15-19H2,1H3,(H,35,43)(H,36,37)(H,41,42)(H,44,45,46)/t23-,24-,25+,26-,27-,28-,29+,30+,32+,33-/m1/s1 |
| InChIKey | VPJVXCRVDDFMOU-IHIDQORYSA-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 | 786.802 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWLU85331 |