| SpectraBase Compound ID | 6DYfwxTfH3p |
|---|---|
| InChI | InChI=1S/C20H28O2S/c1-19-9-8-17-15(16(19)5-6-18(19)22)4-3-13-11-14(21)7-10-20(13,17)12-23-2/h11,15-17H,3-10,12H2,1-2H3/t15-,16-,17-,19-,20+/m0/s1 |
| InChIKey | FDHUZZLLTRFCDB-VDWQKOAOSA-N |
| Mol Weight | 332.5 g/mol |
| Molecular Formula | C20H28O2S |
| Exact Mass | 332.181001 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | rzJPteuj7N |
|---|---|
| Name | Androst-4-ene-3,17-dione, 19-(methylthio)- |
| CAS Registry Number | 90212-03-6 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C20H28O2S |
| InChI | InChI=1S/C20H28O2S/c1-19-9-8-17-15(16(19)5-6-18(19)22)4-3-13-11-14(21)7-10-20(13,17)12-23-2/h11,15-17H,3-10,12H2,1-2H3/t15-,16-,17-,19-,20+/m0/s1 |
| InChIKey | FDHUZZLLTRFCDB-VDWQKOAOSA-N |
| Molecular Weight | 332.502 g/mol |
| SMILES | [C@@]12(C(=CC(CC2)=O)CC[C@]2([C@@]3(CCC([C@]3(CC[C@]12[H])C)=O)[H])[H])CSC |
| SPLASH | splash10-0089-0095000000-e35bf77d602b1f9d33ed |
| Source of Spectrum | KC-1989-1651-10 |
| Synonyms | (8S,9S,10S,13S,14S)-13-methyl-10-(methylsulfanylmethyl)-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-3,17-dione (8S,9S,10S,13S,14S)-13-methyl-10-[(methylthio)methyl]-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-3,17-dione (8S,9S,10S,13S,14S)-13-methyl-10-[(methylthio)methyl]-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-3,17-quinone 19-Methylthioandrost-4-ene-3,17-dione 19-Thiomethylandrost-4-ene-3,17-dione 19-Tmaed |
| Wiley ID | 1329566 |