| SpectraBase Compound ID | 5B4EhrBqCl6 |
|---|---|
| InChI | InChI=1S/C34H60N2O19/c1-34(2,3)55-33(48)35-13-16-21(40)24(43)26(45)29(51-16)30(47)36-20-23(42)28(54-32-27(46)25(44)22(41)17(14-37)52-32)18(15-38)53-31(20)50-12-10-8-6-5-7-9-11-19(39)49-4/h16-18,20-29,31-32,37-38,40-46H,5-15H2,1-4H3,(H,35,48)(H,36,47)/t16-,17-,18-,20-,21-,22+,23-,24+,25+,26+,27-,28-,29-,31-,32+/m1/s1 |
| InChIKey | YXGNUZPLDQCDCH-KRCOIMCTSA-N |
| Mol Weight | 800.8 g/mol |
| Molecular Formula | C34H60N2O19 |
| Exact Mass | 800.379028 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IQI6zkx9YRn |
|---|---|
| Name | #6K;8-METHOXYCARBONYLOCTYL-BETA-D-GALACTOPYRANOSYL-(1->4)-2-DEOXY-2-(1-DEOXY-1-TERT.-BUTOXYCARBONYLAMINOMETHYL-BETA-D-GALACTOHEXOPYRANOSYLURONAMIDE)-BETA-D-GLU |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C34H60N2O19 |
| InChI | InChI=1S/C34H60N2O19/c1-34(2,3)55-33(48)35-13-16-21(40)24(43)26(45)29(51-16)30(47)36-20-23(42)28(54-32-27(46)25(44)22(41)17(14-37)52-32)18(15-38)53-31(20)50-12-10-8-6-5-7-9-11-19(39)49-4/h16-18,20-29,31-32,37-38,40-46H,5-15H2,1-4H3,(H,35,48)(H,36,47)/t16-,17-,18-,20-,21-,22+,23-,24+,25+,26+,27-,28-,29-,31-,32+/m1/s1 |
| InChIKey | YXGNUZPLDQCDCH-KRCOIMCTSA-N |
| Literature Reference Author | O.SCHWARDT,G.BAISCH,R.OEHRLEIN |
| Literature Reference Citation | BIOORG.MED.CHEM.,9,1857(2001) |
| Literature Reference DOI | 10.1016/S0968-0896(01)00086-4 |
| Molecular Weight | 800.852 g/mol |
| Solvent | D2O |
| Source File Reference | UWMS22001 |