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Pregn-4-ene-3,20-dione, 11,17,21-trihydroxy-, (11.beta.)-
SpectraBase Compound ID 736XRDNAZRp
InChI InChI=1S/C21H30O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h9,14-16,18,22,24,26H,3-8,10-11H2,1-2H3
InChIKey JYGXADMDTFJGBT-UHFFFAOYSA-N
Mol Weight 362.47 g/mol
Molecular Formula C21H30O5
Exact Mass 362.209324 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ESXkTyXoriQ
Name 11.ALPHA.,17.ALPHA.,21-TRIHYDROXY-PREGN-4-ENE-3,20-DIONE
Alternate Name(s) 11,17,21-TRIHYDROXYPREGN-4-ENE-3,20-DIONE
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C21H30O5
InChI InChI=1S/C21H30O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h9,14-16,18,22,24,26H,3-8,10-11H2,1-2H3
InChIKey JYGXADMDTFJGBT-UHFFFAOYSA-N
Nominal Mass 362 u
Owner Database Compilation (C) 2005 Wiley & Sons, Inc.
SMILES C12(C)CC(O)C3C4(C(=CC(CC4)=O)CCC3C2CCC1(O)C(CO)=O)C
SPLASH splash10-01vx-6932000000-374121041e18e4c82b7a
Source File Reference LMCM-93433-204T
Source of Spectrum Copyright (C) Prof. Spiteller, University Bayreuth, Germany