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ANDROSTAN-6,17-DION, 3-ACETOXY-5-HYDROXY-
SpectraBase Compound ID B3aM5M2Jzd
InChI InChI=1S/C21H30O5/c1-12(22)26-13-6-9-20(3)16-7-8-19(2)15(4-5-17(19)23)14(16)10-18(24)21(20,25)11-13/h13-16,25H,4-11H2,1-3H3
InChIKey NMHSNRRBGTVQFD-UHFFFAOYSA-N
Mol Weight 362.47 g/mol
Molecular Formula C21H30O5
Exact Mass 362.209324 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LLiWL7eDkez
Name ANDROSTAN-6,17-DION, 3-ACETOXY-5-HYDROXY-
Alternate Name(s) 5-HYDROXY-6,17-DIOXOANDROSTAN-3-YL ACETATE
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C21H30O5
InChI InChI=1S/C21H30O5/c1-12(22)26-13-6-9-20(3)16-7-8-19(2)15(4-5-17(19)23)14(16)10-18(24)21(20,25)11-13/h13-16,25H,4-11H2,1-3H3
InChIKey NMHSNRRBGTVQFD-UHFFFAOYSA-N
Nominal Mass 362 u
Owner Database Compilation (C) 2005 Wiley & Sons, Inc.
SMILES C12(O)CC(CCC1(C)C1C(C3CCC(=O)C3(CC1)C)CC2=O)OC(C)=O
SPLASH splash10-0f6x-9514000000-f0f32769574ad09e9ab2
Source File Reference LMCM-66951-947K
Source of Spectrum Copyright (C) Prof. Spiteller, University Bayreuth, Germany