SpectraBase Spectrum ID |
AgYdcGyaOvH |
Name |
PREGN-4-ENE-3-ONE |
Alternate Name(s) |
PREGN-4-EN-3-ONE |
Copyright |
Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
Formula |
C21H32O |
InChI |
InChI=1S/C21H32O/c1-4-14-6-8-18-17-7-5-15-13-16(22)9-11-21(15,3)19(17)10-12-20(14,18)2/h13-14,17-19H,4-12H2,1-3H3 |
InChIKey |
AYGFEWYXKDFVIQ-UHFFFAOYSA-N |
Nominal Mass |
300 u |
Owner |
Database Compilation (C) 2005 Wiley & Sons, Inc. |
SMILES |
C12(C)CCC(=O)C=C2CCC2C1CCC1(C2CCC1CC)C |
SPLASH |
splash10-0kor-6922000000-2b3ac8282a52201af577 |
Source File Reference |
LMCM-66305-262M |
Source of Spectrum |
Copyright (C) Prof. Spiteller, University Bayreuth, Germany |