![#24;METHYL-6-DEOXY-6-[N'-[6-DEOXY-6-[N'-(6-AMINO-6-DEOXY-BETA-D-GLUCOPYRANOSYL)-THIOUREIDO]-6-DEOXY-BETA-D-GLUCOPYRANOSYL]-THIOUREIDO]-ALPHA-D-GLUCOPYRA](/api/spectrum/LXm6lwvnuxY/structure.png?h=300&w=458 "#24;METHYL-6-DEOXY-6-[N'-[6-DEOXY-6-[N'-(6-AMINO-6-DEOXY-BETA-D-GLUCOPYRANOSYL)-THIOUREIDO]-6-DEOXY-BETA-D-GLUCOPYRANOSYL]-THIOUREIDO]-ALPHA-D-GLUCOPYRA")
| SpectraBase Compound ID | DDs2KlMZKn0 |
|---|---|
| InChI | InChI=1S/C21H39N5O13S2/c1-36-19-16(35)13(32)10(29)7(39-19)4-24-21(41)26-18-15(34)12(31)9(28)6(38-18)3-23-20(40)25-17-14(33)11(30)8(27)5(2-22)37-17/h5-19,27-35H,2-4,22H2,1H3,(H2,23,25,40)(H2,24,26,41)/t5-,6+,7-,8-,9+,10-,11+,12-,13+,14-,15+,16-,17-,18+,19+/m1/s1 |
| InChIKey | AOGLBQBZXDSIMQ-DOUPVKMTSA-N |
| Mol Weight | 633.7 g/mol |
| Molecular Formula | C21H39N5O13S2 |
| Exact Mass | 633.198579 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LXm6lwvnuxY |
|---|---|
| Name | #24;METHYL-6-DEOXY-6-[N'-[6-DEOXY-6-[N'-(6-AMINO-6-DEOXY-BETA-D-GLUCOPYRANOSYL)-THIOUREIDO]-6-DEOXY-BETA-D-GLUCOPYRANOSYL]-THIOUREIDO]-ALPHA-D-GLUCOPYRA |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C21H39N5O13S2 |
| InChI | InChI=1S/C21H39N5O13S2/c1-36-19-16(35)13(32)10(29)7(39-19)4-24-21(41)26-18-15(34)12(31)9(28)6(38-18)3-23-20(40)25-17-14(33)11(30)8(27)5(2-22)37-17/h5-19,27-35H,2-4,22H2,1H3,(H2,23,25,40)(H2,24,26,41)/t5-,6+,7-,8-,9+,10-,11+,12-,13+,14-,15+,16-,17-,18+,19+/m1/s1 |
| InChIKey | AOGLBQBZXDSIMQ-DOUPVKMTSA-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 | 633.686 g/mol |
| Sample ID | 42781 |
| Solvent | D2O |