| SpectraBase Compound ID | KBeRTJyi9Ea |
|---|---|
| InChI | InChI=1S/C39H50N2O12S2/c1-7-54-35-27(31(48-21(3)42)29-25(50-35)19-46-33(52-29)23-15-11-9-12-16-23)40-37(44)39(5,6)38(45)41-28-32(49-22(4)43)30-26(51-36(28)55-8-2)20-47-34(53-30)24-17-13-10-14-18-24/h9-18,25-36H,7-8,19-20H2,1-6H3,(H,40,44)(H,41,45)/t25-,26-,27-,28-,29-,30-,31+,32+,33-,34-,35+,36+/m1/s1 |
| InChIKey | ZRAYYRCKCHTXEZ-CWUAORINSA-N |
| Mol Weight | 803.0 g/mol |
| Molecular Formula | C39H50N2O12S2 |
| Exact Mass | 802.280517 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4CF2wdq8b5w |
|---|---|
| Name | N,N'-BIS-(ETHYL-3-O-ACETYL-4,6-O-BENZYLIDENE-2-DEOXY-1-THIO-BETA-D-ALLOPYRANOSID-2-YL)-DIMETHYLMALONAMIDE |
| Compound Number | 13 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C39H50N2O12S2 |
| InChI | InChI=1S/C39H50N2O12S2/c1-7-54-35-27(31(48-21(3)42)29-25(50-35)19-46-33(52-29)23-15-11-9-12-16-23)40-37(44)39(5,6)38(45)41-28-32(49-22(4)43)30-26(51-36(28)55-8-2)20-47-34(53-30)24-17-13-10-14-18-24/h9-18,25-36H,7-8,19-20H2,1-6H3,(H,40,44)(H,41,45)/t25-,26-,27-,28-,29-,30-,31+,32+,33-,34-,35+,36+/m1/s1 |
| InChIKey | ZRAYYRCKCHTXEZ-CWUAORINSA-N |
| Literature Reference Author | T.MINUTH,M.M.K.BOYSEN |
| Literature Reference Citation | BEIL.J.ORG.CHEM.,6,23,1(2010) |
| Molecular Weight | 802.952 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWBT10043 |