| SpectraBase Compound ID | CuxSSfRFKIU |
|---|---|
| InChI | InChI=1S/C23H32O3S/c1-14(24)19-6-7-20-18-5-4-16-12-17(26)8-11-23(16,13-27-15(2)25)21(18)9-10-22(19,20)3/h12,18-21H,4-11,13H2,1-3H3/t18-,19+,20-,21-,22+,23+/m0/s1 |
| InChIKey | RPQINKWCJZVVPB-BRXKOZLESA-N |
| Mol Weight | 388.6 g/mol |
| Molecular Formula | C23H32O3S |
| Exact Mass | 388.207216 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | Gx4GPJO6HnP |
|---|---|
| Name | 19-(Acetylsulfanyl)-pregnane-3,20-dione |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C23H32O3S |
| InChI | InChI=1S/C23H32O3S/c1-14(24)19-6-7-20-18-5-4-16-12-17(26)8-11-23(16,13-27-15(2)25)21(18)9-10-22(19,20)3/h12,18-21H,4-11,13H2,1-3H3/t18-,19+,20-,21-,22+,23+/m0/s1 |
| InChIKey | RPQINKWCJZVVPB-BRXKOZLESA-N |
| Molecular Weight | 388.566 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])CSC(=O)C |
| SPLASH | splash10-0006-9001000000-9d6b80c7bc3ea4c0e2b0 |
| Source of Spectrum | AF-48-5680-6a |
| Synonyms | Ethanethioic acid S-[[(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 S-[[(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] ethanethioate S-[[(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] ethanethioate |
| Wiley ID | 1693964 |