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3,21-Dihydroxypregnan-20-one
SpectraBase Compound ID ESz02lYSC2A
InChI InChI=1S/C21H34O3/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/h13-18,22-23H,3-12H2,1-2H3
InChIKey CYKYBWRSLLXBOW-UHFFFAOYSA-N
Mol Weight 334.5 g/mol
Molecular Formula C21H34O3
Exact Mass 334.250795 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2PpOqmnfEyP
Name 3.ALPHA.,21-DIHYDROXY-5.ALPHA.-PREGNAN-20-ONE
Alternate Name(s) 3,21-DIHYDROXYPREGNAN-20-ONE
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C21H34O3
InChI InChI=1S/C21H34O3/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/h13-18,22-23H,3-12H2,1-2H3
InChIKey CYKYBWRSLLXBOW-UHFFFAOYSA-N
Nominal Mass 334 u
Owner Database Compilation (C) 2005 Wiley & Sons, Inc.
SMILES C12(C)CCC3C4(C(CC(O)CC4)CCC3C2CCC1C(CO)=O)C
SPLASH splash10-0pb9-9667000000-7d7ce45e49ea0056a876
Source File Reference LMCM-74122-867Q
Source of Spectrum Copyright (C) Prof. Spiteller, University Bayreuth, Germany