| SpectraBase Compound ID | 9b25OE3YdIG |
|---|---|
| InChI | InChI=1S/C29H44N2O16S/c1-13(32)40-21-19(46-27(38-7)25(44-17(5)36)23(21)42-15(3)34)9-11-30-29(48)31-12-10-20-22(41-14(2)33)24(43-16(4)35)26(45-18(6)37)28(39-8)47-20/h19-28H,9-12H2,1-8H3,(H2,30,31,48)/t19-,20+,21-,22+,23+,24-,25-,26+,27+,28- |
| InChIKey | SQUZIVJNRXEJLB-NIJUEOEVSA-N |
| Mol Weight | 708.7 g/mol |
| Molecular Formula | C29H44N2O16S |
| Exact Mass | 708.241155 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Bisy30uZ9Pa |
|---|---|
| Name | N,N'-BIS-(METHYL-2,3,4-TRI-O-ACETYL-6,7-DIDEOXY-ALPHA-D-GLUCO-HEPTOPYRANOSYD-7-YL)-THIOUREA |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C29H44N2O16S |
| InChI | InChI=1S/C29H44N2O16S/c1-13(32)40-21-19(46-27(38-7)25(44-17(5)36)23(21)42-15(3)34)9-11-30-29(48)31-12-10-20-22(41-14(2)33)24(43-16(4)35)26(45-18(6)37)28(39-8)47-20/h19-28H,9-12H2,1-8H3,(H2,30,31,48)/t19-,20+,21-,22+,23+,24-,25-,26+,27+,28- |
| InChIKey | SQUZIVJNRXEJLB-NIJUEOEVSA-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 | 708.732 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWSI26447 |