| SpectraBase Compound ID | 1XuHWraalET |
|---|---|
| InChI | InChI=1S/C17H26O5/c1-4-5-11-13-7-6-10(2)12-8-9-16(3)20-15(19-14(11)18)17(12,13)22-21-16/h10-13,15H,4-9H2,1-3H3 |
| InChIKey | JLYUTVWRSSYYKV-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 | 1Szqu4OJHdc |
|---|---|
| Name | Artemisinin, 9-demethyl-9-propyl- |
| 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/c1-4-5-11-13-7-6-10(2)12-8-9-16(3)20-15(19-14(11)18)17(12,13)22-21-16/h10-13,15H,4-9H2,1-3H3 |
| InChIKey | JLYUTVWRSSYYKV-UHFFFAOYSA-N |
| Molecular Weight | 310.390 g/mol |
| SMILES | C1CC2C34C(OC1(C)OO4)OC(=O)C(C3CCC2C)CCC |