| SpectraBase Compound ID | 14wqPNdea6R |
|---|---|
| InChI | InChI=1S/C25H36O4S/c1-16(26)20-6-7-21-19-5-4-18-14-25(28-12-13-29-25)11-10-24(18,15-30-17(2)27)22(19)8-9-23(20,21)3/h4,19-22H,5-15H2,1-3H3/t19-,20+,21-,22-,23+,24+/m0/s1 |
| InChIKey | LREURUWPMGNWTI-JGQJCFNXSA-N |
| Mol Weight | 432.6 g/mol |
| Molecular Formula | C25H36O4S |
| Exact Mass | 432.233431 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 1xnsioJyyp6 |
|---|---|
| Name | 19-(Acetylsulfanyl)-3,3-(ethylenedioxy)-pregn-5-en-20-one |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C25H36O4S |
| InChI | InChI=1S/C25H36O4S/c1-16(26)20-6-7-21-19-5-4-18-14-25(28-12-13-29-25)11-10-24(18,15-30-17(2)27)22(19)8-9-23(20,21)3/h4,19-22H,5-15H2,1-3H3/t19-,20+,21-,22-,23+,24+/m0/s1 |
| InChIKey | LREURUWPMGNWTI-JGQJCFNXSA-N |
| Molecular Weight | 432.619 g/mol |
| SMILES | [C@]12(C(=CC[C@]3([C@@]4(CC[C@@]([C@]4(CC[C@]23[H])C)(C(=O)C)[H])[H])[H])CC2(CC1)OCCO2)CSC(=O)C |
| SPLASH | splash10-0002-9000000000-f90758c471bae28f17a8 |
| Source of Spectrum | AF-48-5680-7a |
| Synonyms | Ethanethioic acid S-[[(8S,9S,10S,13S,14S,17S)-17-acetyl-13-methyl-10-spiro[1,2,4,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene-3,2'-1,3-dioxolane]yl]methyl] ester S-[[(8S,9S,10S,13S,14S,17S)-17-acetyl-13-methylspiro[1,2,4,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene-3,2'-1,3-dioxolane]-10-yl]methyl] ethanethioate S-[[(8S,9S,10S,13S,14S,17S)-17-acetyl-13-methyl-spiro[1,2,4,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene-3,2'-1,3-dioxolane]-10-yl]methyl] ethanethioate S-[[(8S,9S,10S,13S,14S,17S)-17-ethanoyl-13-methyl-spiro[1,2,4,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene-3,2'-1,3-dioxolane]-10-yl]methyl] ethanethioate |
| Wiley ID | 1693963 |