| SpectraBase Compound ID | D07akiSfOz6 |
|---|---|
| InChI | InChI=1S/C33H52N2O7S2/c1-5-41-30(34-44(39,40)28-18-16-24(2)17-19-28)31(36)42-29-22-25-20-21-33(29,32(25,3)4)23-43(37,38)35(26-12-8-6-9-13-26)27-14-10-7-11-15-27/h16-19,25-27,29-30,34H,5-15,20-23H2,1-4H3/t25-,29+,30+,33-/m0/s1 |
| InChIKey | OHHIOICKRHDEEO-YEFRDATLSA-N |
| Mol Weight | 652.9 g/mol |
| Molecular Formula | C33H52N2O7S2 |
| Exact Mass | 652.321594 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 40BYM6nXQVJ |
|---|---|
| Name | N-((2'S/R)-N'-p-Toluenesulphonylethoxyglycine)-10-N,N-dicyclohexylsulphamoyl-(2R)-isoborneyl ester- |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C33H52N2O7S2 |
| InChI | InChI=1S/C33H52N2O7S2/c1-5-41-30(34-44(39,40)28-18-16-24(2)17-19-28)31(36)42-29-22-25-20-21-33(29,32(25,3)4)23-43(37,38)35(26-12-8-6-9-13-26)27-14-10-7-11-15-27/h16-19,25-27,29-30,34H,5-15,20-23H2,1-4H3/t25-,29+,30+,33-/m0/s1 |
| InChIKey | OHHIOICKRHDEEO-YEFRDATLSA-N |
| Molecular Weight | 652.906 g/mol |
| SMILES | N(S(c1ccc(cc1)C)(=O)=O)[C@@](C(O[C@]1([C@]2(CS(N(C3CCCCC3)C3CCCCC3)(=O)=O)C([C@@](CC2)(C1)[H])(C)C)[H])=O)(OCC)[H] |
| SPLASH | splash10-0udj-0380924000-e2c44f0d08c2fd341492 |
| Source of Spectrum | KD-14-1165-6 |
| Wiley ID | 1636000 |