| SpectraBase Compound ID | BsdioW7rJv0 |
|---|---|
| InChI | InChI=1S/C18H30O2Si/c1-12(2)15-11-18(4)13(3)17(20-21(5,6)7)9-8-14(18)10-16(15)19/h10,13,17H,8-9,11H2,1-7H3/t13-,17+,18+/m0/s1 |
| InChIKey | QDKYHTNUTAGQPC-MORSLUCNSA-N |
| Mol Weight | 306.52 g/mol |
| Molecular Formula | C18H30O2Si |
| Exact Mass | 306.201507 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FTLfsYYN6Ap |
|---|---|
| Name | Isopetasol, tms |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 306.201506739 u |
| Formula | C18H30O2Si |
| InChI | InChI=1S/C18H30O2Si/c1-12(2)15-11-18(4)13(3)17(20-21(5,6)7)9-8-14(18)10-16(15)19/h10,13,17H,8-9,11H2,1-7H3/t13-,17+,18+/m0/s1 |
| InChIKey | QDKYHTNUTAGQPC-MORSLUCNSA-N |
| SMILES | C1[C@]([C@@]([C@@]2(C)CC(=C(C)C)C(C=C2C1)=O)(C)[H])(O[Si](C)(C)C)[H] |