![2,2,2-Trichloroethyl ester of N-[(1-oxo-5-(tert-butylcdimethylsilyloxy)-6-methyl-8-phenyl)octa-2,7-dienyl]-3-chloro-O-methyl-D-tyrosine](/api/spectrum/GEor36bYxPc/structure.png?h=300&w=458 "2,2,2-Trichloroethyl ester of N-[(1-oxo-5-(tert-butylcdimethylsilyloxy)-6-methyl-8-phenyl)octa-2,7-dienyl]-3-chloro-O-methyl-D-tyrosine")
| SpectraBase Compound ID | 357pcSlQ7Ib |
|---|---|
| InChI | InChI=1S/C33H43Cl4NO5Si/c1-23(16-17-24-12-9-8-10-13-24)28(43-44(6,7)32(2,3)4)14-11-15-30(39)38-27(31(40)42-22-33(35,36)37)21-25-18-19-29(41-5)26(34)20-25/h8-13,15-20,23,27-28H,14,21-22H2,1-7H3,(H,38,39)/b15-11+,17-16+/t23?,27-,28?/m1/s1 |
| InChIKey | OYQUPKCLYFBUCT-HQRWYCNESA-N |
| Mol Weight | 703.6 g/mol |
| Molecular Formula | C33H43Cl4NO5Si |
| Exact Mass | 701.166461 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | GEor36bYxPc |
|---|---|
| Name | 2,2,2-Trichloroethyl ester of N-[(1-oxo-5-(tert-butylcdimethylsilyloxy)-6-methyl-8-phenyl)octa-2,7-dienyl]-3-chloro-O-methyl-D-tyrosine |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C33H43Cl4NO5Si |
| InChI | InChI=1S/C33H43Cl4NO5Si/c1-23(16-17-24-12-9-8-10-13-24)28(43-44(6,7)32(2,3)4)14-11-15-30(39)38-27(31(40)42-22-33(35,36)37)21-25-18-19-29(41-5)26(34)20-25/h8-13,15-20,23,27-28H,14,21-22H2,1-7H3,(H,38,39)/b15-11+,17-16+/t23?,27-,28?/m1/s1 |
| InChIKey | OYQUPKCLYFBUCT-HQRWYCNESA-N |
| Molecular Weight | 703.606 g/mol |
| SMILES | N([C@@](C(OCC(Cl)(Cl)Cl)=O)(Cc1cc(Cl)c(cc1)OC)[H])C(\C=C\CC(O[Si](C(C)(C)C)(C)C)C(\C=C\c1ccccc1)C)=O |
| SPLASH | splash10-00di-0104091000-3141a88a8c6216682e22 |
| Source of Spectrum | C-117-2487-20 |
| Wiley ID | 758767 |