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17a,21-Dihydroxy-1,4-pregnadiene-3,20-dione
SpectraBase Compound ID Hl2CdPVbhVd
InChI InChI=1S/C21H28O4/c1-19-8-5-14(23)11-13(19)3-4-15-16(19)6-9-20(2)17(15)7-10-21(20,25)18(24)12-22/h5,8,11,15-17,22,25H,3-4,6-7,9-10,12H2,1-2H3
InChIKey BVAYTJBBDODANA-UHFFFAOYSA-N
Mol Weight 344.45 g/mol
Molecular Formula C21H28O4
Exact Mass 344.198759 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DLkqJ0HJ8GL
Name 17.ALPHA.,21-DIHYDROXY-PREGNA-1,4-DIENE-3,20-DIONE
Alternate Name(s) 17,21-DIHYDROXYPREGNA-1,4-DIENE-3,20-DIONE
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C21H28O4
InChI InChI=1S/C21H28O4/c1-19-8-5-14(23)11-13(19)3-4-15-16(19)6-9-20(2)17(15)7-10-21(20,25)18(24)12-22/h5,8,11,15-17,22,25H,3-4,6-7,9-10,12H2,1-2H3
InChIKey BVAYTJBBDODANA-UHFFFAOYSA-N
Nominal Mass 344 u
Owner Database Compilation (C) 2005 Wiley & Sons, Inc.
SMILES C12(C)C=CC(=O)C=C2CCC2C1CCC1(C2CCC1(O)C(CO)=O)C
SPLASH splash10-00dl-4920000000-a82c6e7ebab791bf9b80
Source File Reference LMCM-29746-648S
Source of Spectrum Copyright (C) Prof. Spiteller, University Bayreuth, Germany