![#34;N-ACETYL-3-DEOXY-3-[N'-[3-DEOXY-3-[N'-(3-AZIDO-3-DEOXY-BETA-D-GLUCOPYRANOSYL)-THIOUREIDO]-BETA-D-GLUCOPYRANOSYL]-THIOUREIDO]-BETA-D-GLUCOPYRANOSYLAM](/api/spectrum/HY8JhPTtgLY/structure.png?h=300&w=458 "#34;N-ACETYL-3-DEOXY-3-[N'-[3-DEOXY-3-[N'-(3-AZIDO-3-DEOXY-BETA-D-GLUCOPYRANOSYL)-THIOUREIDO]-BETA-D-GLUCOPYRANOSYL]-THIOUREIDO]-BETA-D-GLUCOPYRANOSYLAM")
| SpectraBase Compound ID | 8QWNBI3bstq |
|---|---|
| InChI | InChI=1S/C22H38N8O13S2/c1-5(34)24-18-15(38)9(12(35)6(2-31)41-18)25-21(44)27-19-16(39)10(13(36)7(3-32)42-19)26-22(45)28-20-17(40)11(29-30-23)14(37)8(4-33)43-20/h6-20,31-33,35-40H,2-4H2,1H3,(H,24,34)(H2,25,27,44)(H2,26,28,45)/t6-,7-,8-,9+,10+,11+,12-,13-,14-,15-,16-,17-,18-,19-,20-/m1/s1 |
| InChIKey | NVKBVINJOGKFKO-WWSRBJBASA-N |
| Mol Weight | 686.7 g/mol |
| Molecular Formula | C22H38N8O13S2 |
| Exact Mass | 686.199976 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HY8JhPTtgLY |
|---|---|
| Name | #34;N-ACETYL-3-DEOXY-3-[N'-[3-DEOXY-3-[N'-(3-AZIDO-3-DEOXY-BETA-D-GLUCOPYRANOSYL)-THIOUREIDO]-BETA-D-GLUCOPYRANOSYL]-THIOUREIDO]-BETA-D-GLUCOPYRANOSYLAM |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C22H38N8O13S2 |
| InChI | InChI=1S/C22H38N8O13S2/c1-5(34)24-18-15(38)9(12(35)6(2-31)41-18)25-21(44)27-19-16(39)10(13(36)7(3-32)42-19)26-22(45)28-20-17(40)11(29-30-23)14(37)8(4-33)43-20/h6-20,31-33,35-40H,2-4H2,1H3,(H,24,34)(H2,25,27,44)(H2,26,28,45)/t6-,7-,8-,9+,10+,11+,12-,13-,14-,15-,16-,17-,18-,19-,20-/m1/s1 |
| InChIKey | NVKBVINJOGKFKO-WWSRBJBASA-N |
| Literature Reference Author | J.L.J.BLANCO,P.BOOTELLO,C.O.MELLET,J.M.G.FERNANDEZ |
| Literature Reference Citation | EUR.J.ORG.CHEM.,183(2006) |
| Molecular Weight | 686.710 g/mol |
| Sample ID | 42791 |
| Solvent | D2O |