| SpectraBase Compound ID | 7iF1CBaG0Ps |
|---|---|
| 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-PVLRGYAZSA-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 | Ffq2h8dUeuO |
|---|---|
| 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-PVLRGYAZSA-N |
| Molecular Weight | 248.322 g/mol |
| SMILES | [C@]12(O[C@@]2(CC\C=C/(C)CC[C@]2(C(=C)C(O[C@]12[H])=O)[H])C)[H] |
| SPLASH | splash10-0a5c-9320000000-0957b4e82b59d8e8e8aa |
| Source of Spectrum | G4-71-850-1 |
| Wiley ID | 1695007 |