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3.BETA.,17.ALPHA.,21-TRIHYDROXY-PREGN-5-ENE-20-ONE
SpectraBase Compound ID 7z2vbi6VsBp
InChI InChI=1S/C21H32O4/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/h3,14-17,22-23,25H,4-12H2,1-2H3
InChIKey JNHJGXQUDOYJAK-UHFFFAOYSA-N
Mol Weight 348.5 g/mol
Molecular Formula C21H32O4
Exact Mass 348.23006 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID C0O9tG17Mn9
Name 3.BETA.,17.ALPHA.,21-TRIHYDROXY-PREGN-5-ENE-20-ONE
Alternate Name(s) 3,17,21-TRIHYDROXYPREGN-5-EN-20-ONE
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C21H32O4
InChI InChI=1S/C21H32O4/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/h3,14-17,22-23,25H,4-12H2,1-2H3
InChIKey JNHJGXQUDOYJAK-UHFFFAOYSA-N
Nominal Mass 348 u
Owner Database Compilation (C) 2005 Wiley & Sons, Inc.
SMILES C12(C)CCC3C(CC=C4C3(C)CCC(O)C4)C2CCC1(O)C(CO)=O
SPLASH splash10-052f-9861000000-44063036d55d2ed9ef5f
Source File Reference LMCM-56797-938K
Source of Spectrum Copyright (C) Prof. Spiteller, University Bayreuth, Germany