![2-Pyridineacetamide, 6-[2-[[(1,1-dimethylethyl)dimethylsilyl]oxy]heptyl]-1,2,3,6-tetrahydr o-N-(4-hydroxybutyl)-1-[3-[[(4-methylphenyl)sulfonyl]amino]propyl]-, [2.alpha.,6.beta.(S*)]-(.+-.)-](/api/spectrum/3Tra2aViPe5/structure.png?h=300&w=458 "2-Pyridineacetamide, 6-[2-[[(1,1-dimethylethyl)dimethylsilyl]oxy]heptyl]-1,2,3,6-tetrahydr o-N-(4-hydroxybutyl)-1-[3-[[(4-methylphenyl)sulfonyl]amino]propyl]-, [2.alpha.,6.beta.(S*)]-(.+-.)-")
| SpectraBase Compound ID | DqdG39f0thP |
|---|---|
| InChI | InChI=1S/C34H61N3O5SSi/c1-8-9-10-17-31(42-44(6,7)34(3,4)5)26-29-15-13-16-30(27-33(39)35-22-11-12-25-38)37(29)24-14-23-36-43(40,41)32-20-18-28(2)19-21-32/h13,15,18-21,29-31,36,38H,8-12,14,16-17,22-27H2,1-7H3,(H,35,39)/t29-,30-,31+/m1/s1 |
| InChIKey | VNQMHIMZQZPHLY-OLUZHXLYSA-N |
| Mol Weight | 652.0 g/mol |
| Molecular Formula | C34H61N3O5SSi |
| Exact Mass | 651.41012 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3Tra2aViPe5 |
|---|---|
| Name | 2-Pyridineacetamide, 6-[2-[[(1,1-dimethylethyl)dimethylsilyl]oxy]heptyl]-1,2,3,6-tetrahydr o-N-(4-hydroxybutyl)-1-[3-[[(4-methylphenyl)sulfonyl]amino]propyl]-, [2.alpha.,6.beta.(S*)]-(.+-.)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 651.410119780 u |
| Formula | C34H61N3O5SSi |
| InChI | InChI=1S/C34H61N3O5SSi/c1-8-9-10-17-31(42-44(6,7)34(3,4)5)26-29-15-13-16-30(27-33(39)35-22-11-12-25-38)37(29)24-14-23-36-43(40,41)32-20-18-28(2)19-21-32/h13,15,18-21,29-31,36,38H,8-12,14,16-17,22-27H2,1-7H3,(H,35,39)/t29-,30-,31+/m1/s1 |
| InChIKey | VNQMHIMZQZPHLY-OLUZHXLYSA-N |
| Molecular Weight | 652.023 g/mol |
| SMILES | C=1(S(=O)(=O)NCCCN2[C@@](C[C@@](O[Si](C(C)(C)C)(C)C)(CCCCC)[H])(C=CC[C@@]2(CC(=O)NCCCCO)[H])[H])C=CC(=CC1)C |