![N-ACETYL-3-DEOXY-3-[N'-(2,4,6-TRI-O-ACETYL-3-AZIDO-3-DEOXY-BETA-D-GLUCOPYRANOSYL)-THIOUREIDO]-BETA-D-GLUCOPYRANOSYLAMINE](/api/spectrum/EVfyD7qRyz3/structure.png?h=300&w=458 "N-ACETYL-3-DEOXY-3-[N'-(2,4,6-TRI-O-ACETYL-3-AZIDO-3-DEOXY-BETA-D-GLUCOPYRANOSYL)-THIOUREIDO]-BETA-D-GLUCOPYRANOSYLAMINE")
| SpectraBase Compound ID | Hj0mCblnICQ |
|---|---|
| InChI | InChI=1S/C21H32N6O12S/c1-7(29)23-19-16(34)13(15(33)11(5-28)38-19)24-21(40)25-20-18(37-10(4)32)14(26-27-22)17(36-9(3)31)12(39-20)6-35-8(2)30/h11-20,28,33-34H,5-6H2,1-4H3,(H,23,29)(H2,24,25,40)/t11-,12-,13+,14+,15-,16-,17-,18-,19-,20-/m0/s1 |
| InChIKey | UBEZMLHMWQQXEJ-WBJNSPGGSA-N |
| Mol Weight | 592.6 g/mol |
| Molecular Formula | C21H32N6O12S |
| Exact Mass | 592.179892 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EVfyD7qRyz3 |
|---|---|
| Name | N-ACETYL-3-DEOXY-3-[N'-(2,4,6-TRI-O-ACETYL-3-AZIDO-3-DEOXY-BETA-D-GLUCOPYRANOSYL)-THIOUREIDO]-BETA-D-GLUCOPYRANOSYLAMINE |
| Compound Number | 30 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C21H32N6O12S |
| InChI | InChI=1S/C21H32N6O12S/c1-7(29)23-19-16(34)13(15(33)11(5-28)38-19)24-21(40)25-20-18(37-10(4)32)14(26-27-22)17(36-9(3)31)12(39-20)6-35-8(2)30/h11-20,28,33-34H,5-6H2,1-4H3,(H,23,29)(H2,24,25,40)/t11-,12-,13+,14+,15-,16-,17-,18-,19-,20-/m0/s1 |
| InChIKey | UBEZMLHMWQQXEJ-WBJNSPGGSA-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 | 592.578 g/mol |
| Sample ID | 42787 |
| Solvent | CD3OD |