| SpectraBase Spectrum ID |
GO79jOmttXu |
| Name |
1,4-pregnadiene-3,20-dione |
| Alternate Name(s) |
(8S,9S,10R,13S,14S,17S)-17-acetyl-10,13-dimethyl-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthren-3-one |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H28O2 |
| InChI |
InChI=1S/C21H28O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h8,10,12,16-19H,4-7,9,11H2,1-3H3/t16-,17+,18-,19-,20-,21+/m0/s1 |
| InChIKey |
QIEPWCSVQYUPIY-LEKSSAKUSA-N |
| Molecular Weight |
312.453 g/mol |
| SMILES |
C1(C=C[C@@]2([C@]3(CC[C@@]4([C@](CC[C@]4([C@@]3(CCC2=C1)[H])[H])(C(C)=O)[H])C)[H])C)=O |
| SPLASH |
splash10-00dl-4900000000-6814f304341cd698113e |
| Source of Spectrum |
Fu-Qiang Peng, et al. Chemosphere, V.95, 2014, P.581-588 |
| Wiley ID |
1817366 |
