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ANDROST-4-ENE-7.ALPHA.-OL-3,17-DIONE(7.ALPHA.-ACETATE)
SpectraBase Compound ID F80LQ2TZFFA
InChI InChI=1S/C21H28O4/c1-12(22)25-17-11-13-10-14(23)6-8-20(13,2)16-7-9-21(3)15(19(16)17)4-5-18(21)24/h10,15-17,19H,4-9,11H2,1-3H3
InChIKey PIBFXZNDVZYKNG-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 GUSyCBaPcF8
Name ANDROST-4-ENE-7.ALPHA.-OL-3,17-DIONE(7.ALPHA.-ACETATE)
Alternate Name(s) 3,17-DIOXOANDROST-4-EN-7-YL ACETATE
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C21H28O4
InChI InChI=1S/C21H28O4/c1-12(22)25-17-11-13-10-14(23)6-8-20(13,2)16-7-9-21(3)15(19(16)17)4-5-18(21)24/h10,15-17,19H,4-9,11H2,1-3H3
InChIKey PIBFXZNDVZYKNG-UHFFFAOYSA-N
Nominal Mass 344 u
Owner Database Compilation (C) 2005 Wiley & Sons, Inc.
SMILES C12(C)CCC(C=C2CC(OC(C)=O)C2C1CCC1(C2CCC1=O)C)=O
SPLASH splash10-001i-3590000000-a70117293d41a637a089
Source File Reference LMCM-27549-333K
Source of Spectrum Copyright (C) Dr. Makin, London Hospital Medical College, UK