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Pregna-1,4-diene-3,20-dione, 17-hydroxy-
SpectraBase Compound ID 53hRgjKvsqN
InChI InChI=1S/C21H28O3/c1-13(22)21(24)11-8-18-16-5-4-14-12-15(23)6-9-19(14,2)17(16)7-10-20(18,21)3/h6,9,12,16-18,24H,4-5,7-8,10-11H2,1-3H3
InChIKey JQVUIHNKYYECGH-UHFFFAOYSA-N
Mol Weight 328.45 g/mol
Molecular Formula C21H28O3
Exact Mass 328.203845 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IPVtPCPcyni
Name 17.ALPHA.-HYDROXY-PREGNA-1,4-DIENE-3,20-DIONE
Alternate Name(s) 17-HYDROXYPREGNA-1,4-DIENE-3,20-DIONE
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C21H28O3
InChI InChI=1S/C21H28O3/c1-13(22)21(24)11-8-18-16-5-4-14-12-15(23)6-9-19(14,2)17(16)7-10-20(18,21)3/h6,9,12,16-18,24H,4-5,7-8,10-11H2,1-3H3
InChIKey JQVUIHNKYYECGH-UHFFFAOYSA-N
Nominal Mass 328 u
Owner Database Compilation (C) 2005 Wiley & Sons, Inc.
SMILES C12(C)C=CC(=O)C=C2CCC2C1CCC1(C2CCC1(O)C(C)=O)C
SPLASH splash10-006x-7931000000-1187c278794a8e99b619
Source File Reference LMCM-73181-275R
Source of Spectrum Copyright (C) Prof. Spiteller, University Bayreuth, Germany