![(2S)-2-[(Z,1S,5S)-6-[tert-butyl(diphenyl)silyl]oxy-1-hydroxy-3-iodo-1,5-dimethyl-hex-3-enyl]pyrrolidine-1-carboxylic acid tert-butyl ester](/api/spectrum/AknrEtwznbF/structure.png?h=300&w=458 "(2S)-2-[(Z,1S,5S)-6-[tert-butyl(diphenyl)silyl]oxy-1-hydroxy-3-iodo-1,5-dimethyl-hex-3-enyl]pyrrolidine-1-carboxylic acid tert-butyl ester")
| SpectraBase Compound ID | EcQ4eRMd8Z4 |
|---|---|
| InChI | InChI=1S/C33H48INO4Si/c1-25(22-26(34)23-33(8,37)29-20-15-21-35(29)30(36)39-31(2,3)4)24-38-40(32(5,6)7,27-16-11-9-12-17-27)28-18-13-10-14-19-28/h9-14,16-19,22,25,29,37H,15,20-21,23-24H2,1-8H3/b26-22-/t25-,29-,33-/m0/s1 |
| InChIKey | UHILVNMSWKFQAT-UORZGMJESA-N |
| Mol Weight | 677.7 g/mol |
| Molecular Formula | C33H48INO4Si |
| Exact Mass | 677.239731 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AknrEtwznbF |
|---|---|
| Name | (2S)-2-[(Z,1S,5S)-6-[Tert-butyl(diphenyl)silyl]oxy-1-hydroxy-3-iodo-1,5-dimethyl-hex-3-enyl]pyrrolidine-1-carboxylic acid tert-butyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 677.239730561 u |
| Formula | C33H48INO4Si |
| InChI | InChI=1S/C33H48INO4Si/c1-25(22-26(34)23-33(8,37)29-20-15-21-35(29)30(36)39-31(2,3)4)24-38-40(32(5,6)7,27-16-11-9-12-17-27)28-18-13-10-14-19-28/h9-14,16-19,22,25,29,37H,15,20-21,23-24H2,1-8H3/b26-22-/t25-,29-,33-/m0/s1 |
| InChIKey | UHILVNMSWKFQAT-UORZGMJESA-N |
| Molecular Weight | 677.739 g/mol |
| SMILES | [C@]1(N(CCC1)C(=O)OC(C)(C)C)([C@@](C\C(=C\[C@@](CO[Si](C=1C=CC=CC1)(C=1C=CC=CC1)C(C)(C)C)(C)[H])I)(C)O)[H] |