| SpectraBase Compound ID | EBLRquMmaYi |
|---|---|
| InChI | InChI=1S/C35H55N3O19/c1-35(2,3)57-34(50)37-12-17-21(41)24(44)26(46)29(53-17)30(48)38-20-23(43)28(56-32-27(47)25(45)22(42)18(13-39)54-32)19(14-40)55-31(20)51-11-7-10-36-33(49)52-15-16-8-5-4-6-9-16/h4-6,8-9,17-29,31-32,39-47H,7,10-15H2,1-3H3,(H,36,49)(H,37,50)(H,38,48)/t17-,18-,19-,20-,21-,22+,23-,24+,25+,26+,27-,28-,29-,31-,32+/m1/s1 |
| InChIKey | ZXGKSHCCBJMRBC-DPEKSCSWSA-N |
| Mol Weight | 821.8 g/mol |
| Molecular Formula | C35H55N3O19 |
| Exact Mass | 821.342977 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4MIHw8cO64a |
|---|---|
| Name | #7K;3-BENZOXYCARBONYLAMINOPROPYL-BETA-D-GALACTOPYRANOSYL-(1->4)-2-DEOXY-2-(1-DEOXY-1-TERT.-BUTOXYCARBONYLAMINOMETHYL-BETA-D-GALACTOHEXOPYRANOSYLURONAMIDE)-BET |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C35H55N3O19 |
| InChI | InChI=1S/C35H55N3O19/c1-35(2,3)57-34(50)37-12-17-21(41)24(44)26(46)29(53-17)30(48)38-20-23(43)28(56-32-27(47)25(45)22(42)18(13-39)54-32)19(14-40)55-31(20)51-11-7-10-36-33(49)52-15-16-8-5-4-6-9-16/h4-6,8-9,17-29,31-32,39-47H,7,10-15H2,1-3H3,(H,36,49)(H,37,50)(H,38,48)/t17-,18-,19-,20-,21-,22+,23-,24+,25+,26+,27-,28-,29-,31-,32+/m1/s1 |
| InChIKey | ZXGKSHCCBJMRBC-DPEKSCSWSA-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 | 821.830 g/mol |
| Solvent | D2O |
| Source File Reference | UWMS22006 |