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CHOLEST-5-ENE-7-ONE
SpectraBase Compound ID 2qzpGjd4t00
InChI InChI=1S/C27H44O/c1-18(2)9-8-10-19(3)21-12-13-22-25-23(14-16-27(21,22)5)26(4)15-7-6-11-20(26)17-24(25)28/h17-19,21-23,25H,6-16H2,1-5H3
InChIKey GPXIDAWDPZQTOS-UHFFFAOYSA-N
Mol Weight 384.6 g/mol
Molecular Formula C27H44O
Exact Mass 384.339216 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EiQyh5ERaau
Name CHOLEST-5-ENE-7-ONE
Alternate Name(s) CHOLEST-5-EN-7-ONE
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C27H44O
InChI InChI=1S/C27H44O/c1-18(2)9-8-10-19(3)21-12-13-22-25-23(14-16-27(21,22)5)26(4)15-7-6-11-20(26)17-24(25)28/h17-19,21-23,25H,6-16H2,1-5H3
InChIKey GPXIDAWDPZQTOS-UHFFFAOYSA-N
Nominal Mass 384 u
Owner Database Compilation (C) 2005 Wiley & Sons, Inc.
SMILES C12(C)CCC3C4(C(CCCC4)=CC(=O)C3C2CCC1C(C)CCCC(C)C)C
SPLASH splash10-001l-9815000000-2a3a58258e239e98447a
Source File Reference LMCM-54842-627P
Source of Spectrum Copyright (C) Prof. Spiteller, University Bayreuth, Germany