| SpectraBase Spectrum ID |
8gG8GFc9qgQ |
| Name |
PREGNA-1,4-DIENE-3,20-DIONE |
| CAS Registry Number |
1162-54-5 |
| Copyright |
Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. 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 |
| InChIKey |
QIEPWCSVQYUPIY-UHFFFAOYSA-N |
| Nominal Mass |
312 u |
| Owner |
Database Compilation (C) 2005 Wiley & Sons, Inc. |
| SMILES |
CC12C=CC(=O)C=C2CCC2C3CCC(C3(CCC12)C)C(=O)C |
| SPLASH |
splash10-00di-4901000000-b32e1f162c5210b1385b |
| Source File Reference |
LMCM-29820-403R |
| Source of Spectrum |
Copyright (C) Prof. Spiteller, University Bayreuth, Germany |
