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Pregn-4-ene-3,11,20-trione, 21-(acetyloxy)-
SpectraBase Compound ID 2eYQ99WxjFW
InChI InChI=1S/C23H30O5/c1-13(24)28-12-20(27)18-7-6-17-16-5-4-14-10-15(25)8-9-22(14,2)21(16)19(26)11-23(17,18)3/h10,16-18,21H,4-9,11-12H2,1-3H3
InChIKey DOETVHHSMBAUKN-UHFFFAOYSA-N
Mol Weight 386.49 g/mol
Molecular Formula C23H30O5
Exact Mass 386.209324 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 59jdgtpyrbU
Name 21-ACETOXY-PREGN-4-ENE-3,11,20-TRIONE
Alternate Name(s) 3,11,20-TRIOXOPREGN-4-EN-21-YL ACETATE
CAS Registry Number 1173-27-9
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C23H30O5
InChI InChI=1S/C23H30O5/c1-13(24)28-12-20(27)18-7-6-17-16-5-4-14-10-15(25)8-9-22(14,2)21(16)19(26)11-23(17,18)3/h10,16-18,21H,4-9,11-12H2,1-3H3
InChIKey DOETVHHSMBAUKN-UHFFFAOYSA-N
Nominal Mass 386 u
Owner Database Compilation (C) 2005 Wiley & Sons, Inc.
SMILES C12(C)C(C(=O)COC(C)=O)CCC2C2CCC=3C(C)(CCC(=O)C3)C2C(=O)C1
SPLASH splash10-03kl-9736000000-a1c1ea92df146a6e10ab
Source File Reference LMCM-46483-995T
Source of Spectrum Copyright (C) Prof. Spiteller, University Bayreuth, Germany