| SpectraBase Compound ID | Lsdg0nAA59C |
|---|---|
| InChI | InChI=1S/C21H30O2S/c1-3-24-13-21-11-8-15(22)12-14(21)4-5-16-17-6-7-19(23)20(17,2)10-9-18(16)21/h12,16-18H,3-11,13H2,1-2H3/t16-,17-,18-,20-,21+/m0/s1 |
| InChIKey | NHJRGSSRKGDQFJ-OAGDOXAWSA-N |
| Mol Weight | 346.53 g/mol |
| Molecular Formula | C21H30O2S |
| Exact Mass | 346.196651 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | BOBBuJaRP5i |
|---|---|
| Name | Androst-4-ene-3,17-dione, 19-(ethylthio)- |
| CAS Registry Number | 90212-04-7 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C21H30O2S |
| InChI | InChI=1S/C21H30O2S/c1-3-24-13-21-11-8-15(22)12-14(21)4-5-16-17-6-7-19(23)20(17,2)10-9-18(16)21/h12,16-18H,3-11,13H2,1-2H3/t16-,17-,18-,20-,21+/m0/s1 |
| InChIKey | NHJRGSSRKGDQFJ-OAGDOXAWSA-N |
| Molecular Weight | 346.529 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])CSCC |
| SPLASH | splash10-006t-0095000000-6e6f0de390bb0d5d0649 |
| Source of Spectrum | KC-1989-1651-10 |
| Synonyms | 19-(ethylsulfanyl)androst-4-ene-3,17-dione 19-Ethylthioandrost-4-ene-3,17-dione (8S,9S,10S,13S,14S)-10-[(ethylthio)methyl]-13-methyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-3,17-dione (8S,9S,10S,13S,14S)-10-(ethylsulfanylmethyl)-13-methyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-3,17-dione ORG 30359 |
| Wiley ID | 1339441 |