![19-[(Methanesulfonyl)oxy]-pregn-4-ene-3,20-dione](/api/spectrum/9wIhOOvqRR8/structure.png?h=300&w=458 "19-[(Methanesulfonyl)oxy]-pregn-4-ene-3,20-dione")
| SpectraBase Compound ID | D9jZJqoQ7p7 |
|---|---|
| InChI | InChI=1S/C22H32O5S/c1-14(23)18-6-7-19-17-5-4-15-12-16(24)8-11-22(15,13-27-28(3,25)26)20(17)9-10-21(18,19)2/h12,17-20H,4-11,13H2,1-3H3/t17-,18+,19-,20-,21+,22+/m0/s1 |
| InChIKey | ZZPQDMWYJCYAPG-LUDAKILFSA-N |
| Mol Weight | 408.6 g/mol |
| Molecular Formula | C22H32O5S |
| Exact Mass | 408.197045 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 9wIhOOvqRR8 |
|---|---|
| Name | 19-[(Methanesulfonyl)oxy]-pregn-4-ene-3,20-dione |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C22H32O5S |
| InChI | InChI=1S/C22H32O5S/c1-14(23)18-6-7-19-17-5-4-15-12-16(24)8-11-22(15,13-27-28(3,25)26)20(17)9-10-21(18,19)2/h12,17-20H,4-11,13H2,1-3H3/t17-,18+,19-,20-,21+,22+/m0/s1 |
| InChIKey | ZZPQDMWYJCYAPG-LUDAKILFSA-N |
| Molecular Weight | 408.553 g/mol |
| SMILES | [C@@]12(C(=CC(CC2)=O)CC[C@]2([C@@]3(CC[C@@]([C@]3(CC[C@]12[H])C)(C(=O)C)[H])[H])[H])COS(=O)(=O)C |
| SPLASH | splash10-0006-9001200000-6ee69fdd764ae98c0dfc |
| Source of Spectrum | F5-5-2456-10 |
| Synonyms | ((8S,9S,10S,13S,14S,17S)-17-acetyl-13-methyl-3-oxo-2,3,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-10-yl)methyl methanesulfonate Methanesulfonic acid [(8S,9S,10S,13S,14S,17S)-17-acetyl-13-methyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-10-yl]methyl ester [(8S,9S,10S,13S,14S,17S)-17-acetyl-13-methyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-10-yl]methyl methanesulfonate [(8S,9S,10S,13S,14S,17S)-17-ethanoyl-13-methyl-3-oxidanylidene-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-10-yl]methyl methanesulfonate |
| Wiley ID | 1733251 |