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5.ALPHA.-ANDROSTAN-16.ALPHA.-OL-3,6-DIONE(16.ALPHA.-ACETATE)
SpectraBase Compound ID ETRL3217X3K
InChI InChI=1S/C21H30O4/c1-12(22)25-14-9-17-15-10-19(24)18-8-13(23)4-7-21(18,3)16(15)5-6-20(17,2)11-14/h14-18H,4-11H2,1-3H3
InChIKey QROYFBNPUAGLEU-UHFFFAOYSA-N
Mol Weight 346.47 g/mol
Molecular Formula C21H30O4
Exact Mass 346.214409 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8CvMJaTPwAi
Name 5.ALPHA.-ANDROSTAN-16.ALPHA.-OL-3,6-DIONE(16.ALPHA.-ACETATE)
Alternate Name(s) 3,6-DIOXOANDROSTAN-16-YL ACETATE
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C21H30O4
InChI InChI=1S/C21H30O4/c1-12(22)25-14-9-17-15-10-19(24)18-8-13(23)4-7-21(18,3)16(15)5-6-20(17,2)11-14/h14-18H,4-11H2,1-3H3
InChIKey QROYFBNPUAGLEU-UHFFFAOYSA-N
Nominal Mass 346 u
Owner Database Compilation (C) 2005 Wiley & Sons, Inc.
SMILES C12(C)CCC(CC2C(CC2C3C(C)(CC(OC(C)=O)C3)CCC12)=O)=O
SPLASH splash10-007c-6590000000-d60c9a4d8aee52728f9e
Source File Reference LMCM-68995-442S
Source of Spectrum Copyright (C) Dr. Makin, London Hospital Medical College, UK