| SpectraBase Compound ID | CbtkPYnSiOw |
|---|---|
| InChI | InChI=1S/C17H26O5/c1-10(18)22-14-6-7-16(4)9-12(19)11(15(2,3)20)8-13(16)17(14,5)21/h8,13-14,20-21H,6-7,9H2,1-5H3 |
| InChIKey | XZZJZWQEJSUAFZ-UHFFFAOYSA-N |
| Mol Weight | 310.39 g/mol |
| Molecular Formula | C17H26O5 |
| Exact Mass | 310.178024 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9XBoLPyxTXh |
|---|---|
| Name | 3.alpha.-Acetylplucheinol |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 310.178023932 u |
| Formula | C17H26O5 |
| InChI | InChI=1S/C17H26O5/c1-10(18)22-14-6-7-16(4)9-12(19)11(15(2,3)20)8-13(16)17(14,5)21/h8,13-14,20-21H,6-7,9H2,1-5H3 |
| InChIKey | XZZJZWQEJSUAFZ-UHFFFAOYSA-N |
| Molecular Weight | 310.390 g/mol |
| SMILES | C1(CCC2(C(C1(O)C)C=C(C(C2)=O)C(C)(C)O)C)OC(=O)C |