| SpectraBase Compound ID | 2w2iCFqUu3w |
|---|---|
| InChI | InChI=1S/C21H30O3/c1-20-9-7-14(23)11-13(20)3-4-15-16-5-6-18(19(24)12-22)21(16,2)10-8-17(15)20/h11-12,15-19,24H,3-10H2,1-2H3/t15-,16-,17-,18+,19?,20-,21-/m0/s1 |
| InChIKey | HIXLXYQKUSOMDM-FYGMKCHKSA-N |
| Mol Weight | 330.47 g/mol |
| Molecular Formula | C21H30O3 |
| Exact Mass | 330.219495 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | Jd2rE2sukJv |
|---|---|
| Name | 20-Hydroxy-3-oxopregn-4-en-21-al |
| CAS Registry Number | 59005-56-0 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C21H30O3 |
| InChI | InChI=1S/C21H30O3/c1-20-9-7-14(23)11-13(20)3-4-15-16-5-6-18(19(24)12-22)21(16,2)10-8-17(15)20/h11-12,15-19,24H,3-10H2,1-2H3/t15-,16-,17-,18+,19?,20-,21-/m0/s1 |
| InChIKey | HIXLXYQKUSOMDM-FYGMKCHKSA-N |
| Molecular Weight | 330.468 g/mol |
| SMILES | OC([C@@]1([C@@]2([C@]([C@@]3(CCC=4[C@@]([C@]3(CC2)[H])(CCC(=O)C4)C)[H])(CC1)[H])C)[H])C=O |
| SPLASH | splash10-0002-0092000000-5601af5b85d94dafceca |
| Source of Spectrum | J-41-2479-0 |
| Synonyms | 2-Hydroxy-2-[(8S,9S,10R,13S,14S,17S)-3-keto-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]acetaldehyde 2-[(8S,9S,10R,13S,14S,17S)-10,13-dimethyl-3-oxidanylidene-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]-2-oxidanyl-ethanal 2-[(8S,9S,10R,13S,14S,17S)-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]-2-hydroxy-acetaldehyde |
| Wiley ID | 1328262 |