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Pregn-4-ene-3,20-dione, 17,21-dihydroxy-
SpectraBase Compound ID 5W5SBXmhlvu
InChI InChI=1S/C21H30O4/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/h11,15-17,22,25H,3-10,12H2,1-2H3
InChIKey WHBHBVVOGNECLV-UHFFFAOYSA-N
Mol Weight 346.47 g/mol
Molecular Formula C21H30O4
Exact Mass 346.214409 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ac8bKnvkE7w
Name 17.ALPHA.,21-DIHYDROXY-PREGN-4-ENE-3,20-DIONE
Alternate Name(s) 17,21-DIHYDROXYPREGN-4-ENE-3,20-DIONE
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C21H30O4
InChI InChI=1S/C21H30O4/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/h11,15-17,22,25H,3-10,12H2,1-2H3
InChIKey WHBHBVVOGNECLV-UHFFFAOYSA-N
Nominal Mass 346 u
Owner Database Compilation (C) 2005 Wiley & Sons, Inc.
SMILES C12(C)CCC3C(CCC=4C3(C)CCC(=O)C4)C2CCC1(O)C(CO)=O
SPLASH splash10-000l-8692000000-cc1745243749f144d7cf
Source File Reference LMCM-32569-013B
Source of Spectrum Copyright (C) Prof. Spiteller, University Bayreuth, Germany