| SpectraBase Compound ID | L9fJsXxU4EO |
|---|---|
| InChI | InChI=1S/C27H40N2O16S/c1-11(30)38-19-17(44-25(36-7)23(42-15(5)34)21(19)40-13(3)32)9-28-27(46)29-10-18-20(39-12(2)31)22(41-14(4)33)24(43-16(6)35)26(37-8)45-18/h17-26H,9-10H2,1-8H3,(H2,28,29,46)/t17-,18+,19-,20+,21+,22-,23-,24+,25+,26- |
| InChIKey | WSTXBQRZDDEQIM-TVRMGBDWSA-N |
| Mol Weight | 680.7 g/mol |
| Molecular Formula | C27H40N2O16S |
| Exact Mass | 680.209854 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FkPFyNLlMqM |
|---|---|
| Name | N,N'-BIS-(METHYL-2,3,4-TRI-O-ACETYL-6-DEOXY-ALPHA-D-GLUCOPYRANOSYD-6-YL)-THIOUREA |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C27H40N2O16S |
| InChI | InChI=1S/C27H40N2O16S/c1-11(30)38-19-17(44-25(36-7)23(42-15(5)34)21(19)40-13(3)32)9-28-27(46)29-10-18-20(39-12(2)31)22(41-14(4)33)24(43-16(6)35)26(37-8)45-18/h17-26H,9-10H2,1-8H3,(H2,28,29,46)/t17-,18+,19-,20+,21+,22-,23-,24+,25+,26- |
| InChIKey | WSTXBQRZDDEQIM-TVRMGBDWSA-N |
| Literature Reference Author | J.L.J.BLANCO,J.M.BENITO,C.O.MELLET,J.M.G.FERNANDEZ |
| Literature Reference Citation | ORG.LETTERS,1,1217(1999) |
| Literature Reference DOI | 10.1021/ol990889s |
| Molecular Weight | 680.678 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWSI26446 |