| SpectraBase Compound ID | AA76spFShwH |
|---|---|
| InChI | InChI=1S/C15H20O3/c1-9-5-4-8-15(3)13(18-15)12-11(7-6-9)10(2)14(16)17-12/h5,11-13H,2,4,6-8H2,1,3H3/b9-5+/t11-,12-,13-,15+/m0/s1 |
| InChIKey | KTEXNACQROZXEV-SLXBATTESA-N |
| Mol Weight | 248.32 g/mol |
| Molecular Formula | C15H20O3 |
| Exact Mass | 248.141245 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | LEUplrlXr9t |
|---|---|
| Name | Parthenolide |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C15H20O3 |
| InChI | InChI=1S/C15H20O3/c1-9-5-4-8-15(3)13(18-15)12-11(7-6-9)10(2)14(16)17-12/h5,11-13H,2,4,6-8H2,1,3H3/b9-5+/t11-,12-,13-,15+/m0/s1 |
| InChIKey | KTEXNACQROZXEV-SLXBATTESA-N |
| Molecular Weight | 248.322 g/mol |
| SMILES | [C@@]12(O[C@@]2(CC\C=C\(CC[C@]2(C(=C)C(O[C@]12[H])=O)[H])C)C)[H] |
| SPLASH | splash10-014l-0900000000-721a593de984fcd03246 |
| Source of Spectrum | X2-50-895-2 |
| Wiley ID | 1602415 |