| SpectraBase Spectrum ID |
JyLCNA2HJXM |
| Name |
6,19-epi-Thiopregn-4-ene-3,20-dione |
| Comments |
Edited after expert review for CH2Cl2 contamination - Original record with SpectrumID 1693962 moved to the Legacy library |
| Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H28O2S |
| InChI |
InChI=1S/C21H28O2S/c1-12(22)15-3-4-16-14-10-19-18-9-13(23)5-8-21(18,11-24-19)17(14)6-7-20(15,16)2/h9,14-17,19H,3-8,10-11H2,1-2H3/t14-,15+,16-,17-,19-,20+,21-/m0/s1 |
| InChIKey |
TUHIBFNWRMDNOE-JFXKSSBPSA-N |
| Molecular Weight |
344.513 g/mol |
| SMILES |
[C@]123C([C@@](SC3)(C[C@@]3([C@@]1(CC[C@@]1([C@@](C(=O)C)(CC[C@@]31[H])[H])C)[H])[H])[H])=CC(CC2)=O |
| SPLASH |
splash10-0f6w-0997000000-a8a73ab94372e820d151 |
| Source of Spectrum |
AF-48-5680-3a |
| Wiley ID |
1821155 |
