![N-ACETYL-3,6-DIDEOXY-3,6-BIS-[N'-(3,6-DIAMINO-3,6-DIDEOXY-BETA-D-GLUCOPYRANOSYL)-THIOUREIDO]-BETA-D-GLUCOPYRANOSYLAMINE](/api/spectrum/E0rdMGB8WVC/structure.png?h=300&w=458 "N-ACETYL-3,6-DIDEOXY-3,6-BIS-[N'-(3,6-DIAMINO-3,6-DIDEOXY-BETA-D-GLUCOPYRANOSYL)-THIOUREIDO]-BETA-D-GLUCOPYRANOSYLAMINE")
| SpectraBase Compound ID | 6JoT8AijJZP |
|---|---|
| InChI | InChI=1S/C22H43N9O10S2/c1-5(32)28-20-17(38)11(29-22(43)31-19-16(37)10(26)13(34)7(3-24)40-19)14(35)8(41-20)4-27-21(42)30-18-15(36)9(25)12(33)6(2-23)39-18/h6-20,33-38H,2-4,23-26H2,1H3,(H,28,32)(H2,27,30,42)(H2,29,31,43)/t6-,7+,8+,9+,10-,11-,12-,13+,14+,15-,16+,17+,18-,19+,20+/m0/s1 |
| InChIKey | OGOMTFVJXCWUEI-LBESYDPJSA-N |
| Mol Weight | 657.8 g/mol |
| Molecular Formula | C22H43N9O10S2 |
| Exact Mass | 657.257431 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | E0rdMGB8WVC |
|---|---|
| Name | N-ACETYL-3,6-DIDEOXY-3,6-BIS-[N'-(3,6-DIAMINO-3,6-DIDEOXY-BETA-D-GLUCOPYRANOSYL)-THIOUREIDO]-BETA-D-GLUCOPYRANOSYLAMINE |
| Compound Number | 43 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C22H43N9O10S2 |
| InChI | InChI=1S/C22H43N9O10S2/c1-5(32)28-20-17(38)11(29-22(43)31-19-16(37)10(26)13(34)7(3-24)40-19)14(35)8(41-20)4-27-21(42)30-18-15(36)9(25)12(33)6(2-23)39-18/h6-20,33-38H,2-4,23-26H2,1H3,(H,28,32)(H2,27,30,42)(H2,29,31,43)/t6-,7+,8+,9+,10-,11-,12-,13+,14+,15-,16+,17+,18-,19+,20+/m0/s1 |
| InChIKey | OGOMTFVJXCWUEI-LBESYDPJSA-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 | 657.758 g/mol |
| Sample ID | 42800 |
| Solvent | D2O |