![(1S,3S,4S,6S)-1-[1-(2-besylethyl)vinyl]-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-methyl-cyclohexane-1,3-diol](/api/spectrum/GsIcf7LmUhK/structure.png?h=300&w=458 "(1S,3S,4S,6S)-1-[1-(2-besylethyl)vinyl]-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-methyl-cyclohexane-1,3-diol")
| SpectraBase Compound ID | 2ZMPc3zborg |
|---|---|
| InChI | InChI=1S/C34H44O5SSi/c1-26-23-28(34(36,24-32(26)35)27(2)21-22-40(37,38)29-15-9-6-10-16-29)25-39-41(33(3,4)5,30-17-11-7-12-18-30)31-19-13-8-14-20-31/h6-20,26,28,32,35-36H,2,21-25H2,1,3-5H3/t26-,28-,32-,34+/m0/s1 |
| InChIKey | XWQXQJFISOWOPT-MBVGZTCASA-N |
| Mol Weight | 592.9 g/mol |
| Molecular Formula | C34H44O5SSi |
| Exact Mass | 592.267872 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GsIcf7LmUhK |
|---|---|
| Name | (1S,3S,4S,6S)-1-[1-(2-Besylethyl)vinyl]-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-methyl-cyclohexane-1,3-diol |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 592.267872221 u |
| Formula | C34H44O5SSi |
| InChI | InChI=1S/C34H44O5SSi/c1-26-23-28(34(36,24-32(26)35)27(2)21-22-40(37,38)29-15-9-6-10-16-29)25-39-41(33(3,4)5,30-17-11-7-12-18-30)31-19-13-8-14-20-31/h6-20,26,28,32,35-36H,2,21-25H2,1,3-5H3/t26-,28-,32-,34+/m0/s1 |
| InChIKey | XWQXQJFISOWOPT-MBVGZTCASA-N |
| Molecular Weight | 592.866 g/mol |
| SMILES | C(S(=O)(=O)C=1C=CC=CC1)CC([C@@]1(C[C@](O)([C@](C[C@]1(CO[Si](C(C)(C)C)(C1=CC=CC=C1)C=1C=CC=CC1)[H])(C)[H])[H])O)=C |