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20.BETA.,21-DIHYDROXY-PREGN-4-ENE-3-ONE
SpectraBase Compound ID 4UDmxYefLP5
InChI InChI=1S/C21H32O3/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/h11,15-19,22,24H,3-10,12H2,1-2H3
InChIKey ZCFUAGVJMSGCHS-UHFFFAOYSA-N
Mol Weight 332.5 g/mol
Molecular Formula C21H32O3
Exact Mass 332.235145 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JeEAFohKTg8
Name 20.BETA.,21-DIHYDROXY-PREGN-4-ENE-3-ONE
Alternate Name(s) 20,21-DIHYDROXYPREGN-4-EN-3-ONE
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C21H32O3
InChI InChI=1S/C21H32O3/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/h11,15-19,22,24H,3-10,12H2,1-2H3
InChIKey ZCFUAGVJMSGCHS-UHFFFAOYSA-N
Nominal Mass 332 u
Owner Database Compilation (C) 2005 Wiley & Sons, Inc.
SMILES C12(C)CCC3C(CCC=4C3(C)CCC(=O)C4)C2CCC1C(CO)O
SPLASH splash10-0fl0-5923000000-0d134d894094c6f92418
Source File Reference LMCM-33966-086R
Source of Spectrum Copyright (C) Prof. Spiteller, University Bayreuth, Germany