| SpectraBase Compound ID | EU9Wz4Wwyl4 |
|---|---|
| InChI | InChI=1S/C35H53N5O22/c36-40-39-31-24(50)22(48)23(49)29(60-31)30(53)38-17-20(46)27(16(11-43)59-32(17)55-8-4-7-37-35(54)56-12-13-5-2-1-3-6-13)61-34-26(52)28(19(45)15(10-42)58-34)62-33-25(51)21(47)18(44)14(9-41)57-33/h1-3,5-6,14-29,31-34,41-52H,4,7-12H2,(H,37,54)(H,38,53)/t14-,15-,16-,17-,18+,19+,20-,21+,22-,23-,24+,25-,26-,27-,28+,29-,31+,32-,33-,34+/m1/s1 |
| InChIKey | BGWFZBDDZCZCNI-ADCCZUHSSA-N |
| Mol Weight | 895.8 g/mol |
| Molecular Formula | C35H53N5O22 |
| Exact Mass | 895.318218 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 17cve6HZ3wN |
|---|---|
| Name | #9F;3-BENZOXYCARBONYLAMINOPROPYL-ALPHA-D-GALACTOPYRANOSYL-(1->3)-BETA-D-GALACTOPYRANOSYL-(1->4)-2-DEOXY-2-(1-DEOXY-1-AZIDO-BETA-D-GLUCOHEXOPYRANOSYLURONAMIDE)- |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C35H53N5O22 |
| InChI | InChI=1S/C35H53N5O22/c36-40-39-31-24(50)22(48)23(49)29(60-31)30(53)38-17-20(46)27(16(11-43)59-32(17)55-8-4-7-37-35(54)56-12-13-5-2-1-3-6-13)61-34-26(52)28(19(45)15(10-42)58-34)62-33-25(51)21(47)18(44)14(9-41)57-33/h1-3,5-6,14-29,31-34,41-52H,4,7-12H2,(H,37,54)(H,38,53)/t14-,15-,16-,17-,18+,19+,20-,21+,22-,23-,24+,25-,26-,27-,28+,29-,31+,32-,33-,34+/m1/s1 |
| InChIKey | BGWFZBDDZCZCNI-ADCCZUHSSA-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 | 895.826 g/mol |
| Solvent | D2O |
| Source File Reference | UWMS22018 |