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ANDROST-4-ENE-17.BETA.-OL-3,11-DIONE(17.BETA.-ACETATE)
SpectraBase Compound ID AIudTND4rx4
InChI InChI=1S/C21H28O4/c1-12(22)25-18-7-6-16-15-5-4-13-10-14(23)8-9-20(13,2)19(15)17(24)11-21(16,18)3/h10,15-16,18-19H,4-9,11H2,1-3H3
InChIKey LCOMQMDZABGLTI-UHFFFAOYSA-N
Mol Weight 344.45 g/mol
Molecular Formula C21H28O4
Exact Mass 344.198759 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3QWhMBPAU4f
Name ANDROST-4-ENE-17.BETA.-OL-3,11-DIONE(17.BETA.-ACETATE)
Alternate Name(s) 3,11-DIOXOANDROST-4-EN-17-YL ACETATE
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C21H28O4
InChI InChI=1S/C21H28O4/c1-12(22)25-18-7-6-16-15-5-4-13-10-14(23)8-9-20(13,2)19(15)17(24)11-21(16,18)3/h10,15-16,18-19H,4-9,11H2,1-3H3
InChIKey LCOMQMDZABGLTI-UHFFFAOYSA-N
Nominal Mass 344 u
Owner Database Compilation (C) 2005 Wiley & Sons, Inc.
SMILES C12(C)C(CCC2C2C(C(=O)C1)C1(C)CCC(C=C1CC2)=O)OC(C)=O
SPLASH splash10-006x-4953000000-a4a2cd222087bfac817e
Source File Reference LMCM-63931-755U
Source of Spectrum Copyright (C) Dr. Makin, London Hospital Medical College, UK