| SpectraBase Compound ID | K5PhzIbSlGx |
|---|---|
| InChI | InChI=1S/C25H34O5S/c1-15(26)30-13-23(29)22-7-6-20-19-5-4-17-12-18(28)8-11-25(17,14-31-16(2)27)21(19)9-10-24(20,22)3/h12,19-22H,4-11,13-14H2,1-3H3/t19-,20-,21-,22+,24-,25+/m0/s1 |
| InChIKey | WAWZHFWEAVISAN-IJPOMDLSSA-N |
| Mol Weight | 446.6 g/mol |
| Molecular Formula | C25H34O5S |
| Exact Mass | 446.212695 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 5WO0zBQetVN |
|---|---|
| Name | 19-(Acetylsulfanyl)-21-(acetoxy)pregnane-3,20-dione |
| Copyright | Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C25H34O5S |
| InChI | InChI=1S/C25H34O5S/c1-15(26)30-13-23(29)22-7-6-20-19-5-4-17-12-18(28)8-11-25(17,14-31-16(2)27)21(19)9-10-24(20,22)3/h12,19-22H,4-11,13-14H2,1-3H3/t19-,20-,21-,22+,24-,25+/m0/s1 |
| InChIKey | WAWZHFWEAVISAN-IJPOMDLSSA-N |
| Molecular Weight | 446.602 g/mol |
| SMILES | [C@@]12(C(=CC(CC2)=O)CC[C@]2([C@@]3(CC[C@@]([C@]3(CC[C@]12[H])C)(C(COC(=O)C)=O)[H])[H])[H])CSC(=O)C |
| SPLASH | splash10-0006-9000000000-a2923530ac66911da224 |
| Source of Spectrum | AF-48-5681-6b |
| Synonyms | Acetic acid [2-[(8S,9S,10S,13S,14S,17S)-10-[(acetylthio)methyl]-13-methyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] ester [2-[(8S,9S,10S,13S,14S,17S)-10-(acetylsulfanylmethyl)-13-methyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate [2-[(8S,9S,10S,13S,14S,17S)-10-(acetylsulfanylmethyl)-13-methyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]-2-oxo-ethyl] acetate [2-[(8S,9S,10S,13S,14S,17S)-10-(ethanoylsulfanylmethyl)-13-methyl-3-oxidanylidene-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]-2-oxidanylidene-ethyl] ethanoate |
| Wiley ID | 1693959 |