For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
Pregn-4-ene-3,20-dione, 21-hydroxy-
SpectraBase Compound ID KJyjpAgCMGq
InChI InChI=1S/C21H30O3/c1-20-9-7-14(23)11-13(20)3-4-15-16-5-6-18(19(24)12-22)21(16,2)10-8-17(15)20/h11,15-18,22H,3-10,12H2,1-2H3
InChIKey ZESRJSPZRDMNHY-UHFFFAOYSA-N
Mol Weight 330.47 g/mol
Molecular Formula C21H30O3
Exact Mass 330.219495 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 3LTIcZwPyay
Name 21-HYDROXY-PREGN-4-ENE-3,20-DIONE
Alternate Name(s) 21-HYDROXYPREGN-4-ENE-3,20-DIONE
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C21H30O3
InChI InChI=1S/C21H30O3/c1-20-9-7-14(23)11-13(20)3-4-15-16-5-6-18(19(24)12-22)21(16,2)10-8-17(15)20/h11,15-18,22H,3-10,12H2,1-2H3
InChIKey ZESRJSPZRDMNHY-UHFFFAOYSA-N
Nominal Mass 330 u
Owner Database Compilation (C) 2005 Wiley & Sons, Inc.
SMILES C12(C)CCC3C(CCC=4C3(C)CCC(=O)C4)C2CCC1C(CO)=O
SPLASH splash10-0002-7692000000-6a90b8544906462e23b1
Source File Reference LMCM-74632-627N
Source of Spectrum Copyright (C) Prof. Spiteller, University Bayreuth, Germany