| SpectraBase Compound ID | FQtQjJwo1BW |
|---|---|
| InChI | InChI=1S/C17H22O3/c1-10(2)14-9-17(5)11(3)16(20-12(4)18)7-6-13(17)8-15(14)19/h8-9,11,16H,1,6-7H2,2-5H3/t11-,16+,17+/m0/s1 |
| InChIKey | PFQRHQBXFFTZNN-YMRXKLBXSA-N |
| Mol Weight | 274.36 g/mol |
| Molecular Formula | C17H22O3 |
| Exact Mass | 274.156895 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 107sVPtDqnr |
|---|---|
| Name | 6-Dehydropetasol, acetate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 274.156894565 u |
| Formula | C17H22O3 |
| InChI | InChI=1S/C17H22O3/c1-10(2)14-9-17(5)11(3)16(20-12(4)18)7-6-13(17)8-15(14)19/h8-9,11,16H,1,6-7H2,2-5H3/t11-,16+,17+/m0/s1 |
| InChIKey | PFQRHQBXFFTZNN-YMRXKLBXSA-N |
| Molecular Weight | 274.360 g/mol |
| SMILES | C=12CC[C@]([C@@]([C@@]2(C)C=C(C(=C)C)C(C1)=O)(C)[H])(OC(C)=O)[H] |