| SpectraBase Compound ID | Gv5I4xtKHLD |
|---|---|
| InChI | InChI=1S/C17H20O7/c1-9(2)6-14(21)17-15(23-11(4)19)7-13(22-10(3)18)8-16(17)24-12(5)20/h7-9H,6H2,1-5H3 |
| InChIKey | SKJVKVNHLLIAQZ-UHFFFAOYSA-N |
| Mol Weight | 336.34 g/mol |
| Molecular Formula | C17H20O7 |
| Exact Mass | 336.120903 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | ABeXkrzipQ0 |
|---|---|
| Name | Preleptospermone, triacetate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 336.120902977 u |
| Formula | C17H20O7 |
| InChI | InChI=1S/C17H20O7/c1-9(2)6-14(21)17-15(23-11(4)19)7-13(22-10(3)18)8-16(17)24-12(5)20/h7-9H,6H2,1-5H3 |
| InChIKey | SKJVKVNHLLIAQZ-UHFFFAOYSA-N |
| Molecular Weight | 336.340 g/mol |
| SMILES | C(CC(C)C)(=O)C1=C(C=C(C=C1OC(C)=O)OC(C)=O)OC(C)=O |