| SpectraBase Compound ID | GWETmiPmVNl |
|---|---|
| InChI | InChI=1S/C36H51NO5SSi/c1-26(42-44(34(3,4)5,29-17-10-8-11-18-29)30-19-12-9-13-20-30)16-14-15-21-31(38)27(2)33(39)37-32-24-28-22-23-36(32,35(28,6)7)25-43(37,40)41/h8-14,16-20,26-28,31-32,38H,15,21-25H2,1-7H3/b16-14-/t26-,27+,28+,31-,32-,36+/m0/s1 |
| InChIKey | WWZMWIAJKMYHAN-FKMYOKMYSA-N |
| Mol Weight | 638.0 g/mol |
| Molecular Formula | C36H51NO5SSi |
| Exact Mass | 637.325721 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KdP3uJxIAp0 |
|---|---|
| Name | (-)-(2R,3S,6Z,8S)-aldol adduct |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 637.325721450 u |
| Formula | C36H51NO5SSi |
| InChI | InChI=1S/C36H51NO5SSi/c1-26(42-44(34(3,4)5,29-17-10-8-11-18-29)30-19-12-9-13-20-30)16-14-15-21-31(38)27(2)33(39)37-32-24-28-22-23-36(32,35(28,6)7)25-43(37,40)41/h8-14,16-20,26-28,31-32,38H,15,21-25H2,1-7H3/b16-14-/t26-,27+,28+,31-,32-,36+/m0/s1 |
| InChIKey | WWZMWIAJKMYHAN-FKMYOKMYSA-N |
| Molecular Weight | 637.951 g/mol |
| SMILES | C(N1S(C[C@]23C([C@@](CC13)(CC2)[H])(C)C)(=O)=O)([C@@]([C@@](O)(CC\C=C/[C@@](O[Si](C(C)(C)C)(C=1C=CC=CC1)C1=CC=CC=C1)(C)[H])[H])(C)[H])=O |