| SpectraBase Compound ID | CbUOTqbXXG3 |
|---|---|
| InChI | InChI=1S/2C20H37NO4S/c2*1-13(2)15-9-8-14(3)12-17(15)24-18(22)16(10-11-26-7)21-19(23)25-20(4,5)6/h2*13-17H,8-12H2,1-7H3,(H,21,23)/t2*14-,15+,16+,17-/m11/s1 |
| InChIKey | YTHLHUXNUUEGIG-HICPETKDSA-N |
| Mol Weight | 775.2 g/mol |
| Molecular Formula | C40H74N2O8S2 |
| Exact Mass | 774.48866 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | InWkuMe6HTD |
|---|---|
| Name | (S)-(1R,2S,5R)-2-ISOPROPYL-5-METHYLCYCLOHEXYL-2-(TERT.-BUTOXYCARBONYLAMINO)-4-(METHYLTHIO)-BUTANOATE |
| Compound Number | 6 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C40H74N2O8S2 |
| InChI | InChI=1S/2C20H37NO4S/c2*1-13(2)15-9-8-14(3)12-17(15)24-18(22)16(10-11-26-7)21-19(23)25-20(4,5)6/h2*13-17H,8-12H2,1-7H3,(H,21,23)/t2*14-,15+,16+,17-/m11/s1 |
| InChIKey | YTHLHUXNUUEGIG-HICPETKDSA-N |
| Literature Reference Author | A.GRAUER,B.KOENIG |
| Literature Reference Citation | MOLBANK,M594(2009) |
| Molecular Weight | 775.156 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWLU83059 |