| SpectraBase Compound ID | 2HG5I6i0Rjw |
|---|---|
| InChI | InChI=1S/C21H30O3/c1-12(22)15-4-5-16-19-17(7-9-21(15,16)3)20(2)8-6-14(23)10-13(20)11-18(19)24/h11,14-17,19,23H,4-10H2,1-3H3/t14-,15+,16-,17-,19-,20-,21+/m0/s1 |
| InChIKey | WNHLZNUVEVVTSY-GVQHXQKQSA-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 | BDsvrF4GCQt |
|---|---|
| Name | (3beta)-3-hydroxypregn-5-ene-7,20-dione |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C21H30O3 |
| InChI | InChI=1S/C21H30O3/c1-12(22)15-4-5-16-19-17(7-9-21(15,16)3)20(2)8-6-14(23)10-13(20)11-18(19)24/h11,14-17,19,23H,4-10H2,1-3H3/t14-,15+,16-,17-,19-,20-,21+/m0/s1 |
| InChIKey | WNHLZNUVEVVTSY-GVQHXQKQSA-N |
| Molecular Weight | 330.468 g/mol |
| SMILES | O[C@]1(CC[C@]2(C(C1)=CC([C@]1([C@@]3(CC[C@](C(C)=O)([C@@]3(C)CC[C@]21[H])[H])[H])[H])=O)C)[H] |
| SPLASH | splash10-0002-0093000000-ca6ceb1b1ef61ea82a4b |
| Source of Spectrum | X2-56-286-17 |
| Synonyms | (3S,8S,9S,10R,13S,14S,17S)-17-acetyl-3-hydroxy-10,13-dimethyl-1,2,3,4,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-7-one (3S,8S,9S,10R,13S,14S,17S)-17-ethanoyl-10,13-dimethyl-3-oxidanyl-1,2,3,4,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-7-one |
| Wiley ID | 1604766 |