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5β-Pregnan-3,12,20-trione
SpectraBase Compound ID 3jF9fUttYJh
InChI InChI=1S/C21H30O3/c1-12(22)16-6-7-17-15-5-4-13-10-14(23)8-9-20(13,2)18(15)11-19(24)21(16,17)3/h13,15-18H,4-11H2,1-3H3
InChIKey PCTFUNUQNHEEEB-UHFFFAOYSA-N
Mol Weight 330.47 g/mol
Molecular Formula C21H30O3
Exact Mass 330.219495 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1L2bI1adRhV
Name 5.BETA.-PREGNAN-3,12,20-TRIONE
Alternate Name(s) PREGNANE-3,12,20-TRIONE
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C21H30O3
InChI InChI=1S/C21H30O3/c1-12(22)16-6-7-17-15-5-4-13-10-14(23)8-9-20(13,2)18(15)11-19(24)21(16,17)3/h13,15-18H,4-11H2,1-3H3
InChIKey PCTFUNUQNHEEEB-UHFFFAOYSA-N
Nominal Mass 330 u
Owner Database Compilation (C) 2005 Wiley & Sons, Inc.
SMILES C12(C)C(C(C)=O)CCC2C2CCC3C(C)(CCC(=O)C3)C2CC1=O
SPLASH splash10-001l-9524000000-392ecb4834e8b18a47bf
Source File Reference LMCM-93195-228Y
Source of Spectrum Copyright (C) Prof. Spiteller, University Bayreuth, Germany