| SpectraBase Compound ID | 7kU4cBOvvIL |
|---|---|
| InChI | InChI=1S/C29H47ClO3Si2/c1-21(2)14-12-15-22(3)16-13-17-23(4)18-19-25-28(32-34(6,7)8)26(20-31)24(5)27(30)29(25)33-35(9,10)11/h14,16,18,20H,12-13,15,17,19H2,1-11H3/b22-16+,23-18+ |
| InChIKey | LJUOEVGIDFLTRY-NERIYXGDSA-N |
| Mol Weight | 535.3 g/mol |
| Molecular Formula | C29H47ClO3Si2 |
| Exact Mass | 534.275226 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Iw7YlCCapjN |
|---|---|
| Name | Ilicicolin A, 2tms derivative |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 534.275226140 u |
| Formula | C29H47ClO3Si2 |
| InChI | InChI=1S/C29H47ClO3Si2/c1-21(2)14-12-15-22(3)16-13-17-23(4)18-19-25-28(32-34(6,7)8)26(20-31)24(5)27(30)29(25)33-35(9,10)11/h14,16,18,20H,12-13,15,17,19H2,1-11H3/b22-16+,23-18+ |
| InChIKey | LJUOEVGIDFLTRY-NERIYXGDSA-N |
| Molecular Weight | 535.315 g/mol |
| SMILES | C[Si](C)(C)OC=1C(=C(C(Cl)=C(C)C1C=O)O[Si](C)(C)C)C\C=C/(C)CC\C=C/(C)CCC=C(C)C |