![#35;N-ACETYL-3-DEOXY-3-[N'-[3-DEOXY-3-[N'-(3-AMINO-3-DEOXY-BETA-D-GLUCOPYRANOSYL)-THIOUREIDO]-BETA-D-GLUCOPYRANOSYL]-THIOUREIDO]-BETA-D-GLUCOPYRANOSYLAM](/api/spectrum/HdSO1ymI1rE/structure.png?h=300&w=458 "#35;N-ACETYL-3-DEOXY-3-[N'-[3-DEOXY-3-[N'-(3-AMINO-3-DEOXY-BETA-D-GLUCOPYRANOSYL)-THIOUREIDO]-BETA-D-GLUCOPYRANOSYL]-THIOUREIDO]-BETA-D-GLUCOPYRANOSYLAM")
| SpectraBase Compound ID | ALb9ONi26Pk |
|---|---|
| InChI | InChI=1S/C22H40N6O13S2/c1-5(32)24-19-16(37)10(13(34)7(3-30)40-19)25-22(43)28-20-17(38)11(14(35)8(4-31)41-20)26-21(42)27-18-15(36)9(23)12(33)6(2-29)39-18/h6-20,29-31,33-38H,2-4,23H2,1H3,(H,24,32)(H2,25,28,43)(H2,26,27,42)/t6-,7-,8-,9+,10+,11+,12-,13-,14-,15-,16-,17-,18-,19-,20-/m1/s1 |
| InChIKey | QGBWYIIBFUNREI-WWSRBJBASA-N |
| Mol Weight | 660.7 g/mol |
| Molecular Formula | C22H40N6O13S2 |
| Exact Mass | 660.209478 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HdSO1ymI1rE |
|---|---|
| Name | #35;N-ACETYL-3-DEOXY-3-[N'-[3-DEOXY-3-[N'-(3-AMINO-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 | C22H40N6O13S2 |
| InChI | InChI=1S/C22H40N6O13S2/c1-5(32)24-19-16(37)10(13(34)7(3-30)40-19)25-22(43)28-20-17(38)11(14(35)8(4-31)41-20)26-21(42)27-18-15(36)9(23)12(33)6(2-29)39-18/h6-20,29-31,33-38H,2-4,23H2,1H3,(H,24,32)(H2,25,28,43)(H2,26,27,42)/t6-,7-,8-,9+,10+,11+,12-,13-,14-,15-,16-,17-,18-,19-,20-/m1/s1 |
| InChIKey | QGBWYIIBFUNREI-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 | 660.712 g/mol |
| Sample ID | 42792 |
| Solvent | D2O |