| SpectraBase Compound ID | 7Ya90FzAS6k |
|---|---|
| InChI | InChI=1S/C29H34Cl3NO9/c1-4-41-24(34)12-8-11-23(42-18-20-9-6-5-7-10-20)25(35)28(27(37)39-3,33-26(36)29(30,31)32)19-40-17-21-13-15-22(38-2)16-14-21/h5-10,12-16,23,25,35H,4,11,17-19H2,1-3H3,(H,33,36)/b12-8+/t23-,25+,28+/m1/s1 |
| InChIKey | GWRIAINGVNELND-JTMUAMPWSA-N |
| Mol Weight | 646.9 g/mol |
| Molecular Formula | C29H34Cl3NO9 |
| Exact Mass | 645.129915 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 58MKZTPlKbL |
|---|---|
| Name | 1-Ethyl 8-Methyl (E,5R,6R,7S)-5-Benzyloxy-6-hydroxyo-7-(4-methoxybenzyloxymethyl)-7-(trichloroacetamido)octandioate |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C29H34Cl3NO9 |
| InChI | InChI=1S/C29H34Cl3NO9/c1-4-41-24(34)12-8-11-23(42-18-20-9-6-5-7-10-20)25(35)28(27(37)39-3,33-26(36)29(30,31)32)19-40-17-21-13-15-22(38-2)16-14-21/h5-10,12-16,23,25,35H,4,11,17-19H2,1-3H3,(H,33,36)/b12-8+/t23-,25+,28+/m1/s1 |
| InChIKey | GWRIAINGVNELND-JTMUAMPWSA-N |
| Molecular Weight | 646.948 g/mol |
| SMILES | N([C@@]([C@]([C@](OCc1ccccc1)(C\C=C\C(=O)OCC)[H])(O)[H])(C(=O)OC)COCc1ccc(cc1)OC)C(C(Cl)(Cl)Cl)=O |
| SPLASH | splash10-00di-0000900000-91edec941755ec41b85a |
| Source of Spectrum | AJ-75-1938-23 |
| Wiley ID | 1577140 |