| SpectraBase Compound ID | 2mtEP9PvSLO |
|---|---|
| InChI | InChI=1S/C22H30O3/c1-13(12-23)16-4-5-17-20-18(7-9-22(16,17)3)21(2)8-6-15(24)10-14(21)11-19(20)25/h6,8,10,12-13,16-20,25H,4-5,7,9,11H2,1-3H3 |
| InChIKey | XKNAFGDXOSIMKT-UHFFFAOYSA-N |
| Mol Weight | 342.48 g/mol |
| Molecular Formula | C22H30O3 |
| Exact Mass | 342.219495 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | KpAycN89DtD |
|---|---|
| Name | 7-Hydroxy-pregna-1,4-dien-3-one-20-carbaldehyde |
| Copyright | Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C22H30O3 |
| InChI | InChI=1S/C22H30O3/c1-13(12-23)16-4-5-17-20-18(7-9-22(16,17)3)21(2)8-6-15(24)10-14(21)11-19(20)25/h6,8,10,12-13,16-20,25H,4-5,7,9,11H2,1-3H3 |
| InChIKey | XKNAFGDXOSIMKT-UHFFFAOYSA-N |
| Ionization Type | EI-B |
| Molecular Weight | 342.479 g/mol |
| SMILES | OC1C2C3C(C(C(C=O)C)CC3)(C)CCC2C2(C)C=CC(C=C2C1)=O |
| SPLASH | splash10-00di-2900000000-56316fdcf908698fa497 |
| Source of Spectrum | SRH-2022-10045-0 |
| Wiley ID | 1831677 |