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4-Cholesten-3-one, 1TMS
SpectraBase Compound ID JQYrOrWiR0k
InChI InChI=1S/C27H44O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h17-19,22-25H,6-16H2,1-5H3
InChIKey NYOXRYYXRWJDKP-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 7Me8ID6RSzI
Name CHOLEST-4-ENE-3-ONE
Alternate Name(s) CHOLEST-4-EN-3-ONE
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C27H44O
InChI InChI=1S/C27H44O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h17-19,22-25H,6-16H2,1-5H3
InChIKey NYOXRYYXRWJDKP-UHFFFAOYSA-N
Nominal Mass 384 u
Owner Database Compilation (C) 2005 Wiley & Sons, Inc.
SMILES C12(C)CCC3C(CCC=4C3(C)CCC(=O)C4)C2CCC1C(C)CCCC(C)C
SPLASH splash10-008c-8935000000-99763fd82c71436ddb68
Source File Reference LMCM-33194-473D
Source of Spectrum Copyright (C) Prof. Spiteller, University Bayreuth, Germany