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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 9ZeCw6SmbDK
Name Cholestenone
CAS Registry Number 601-57-0
Classification Biomolecule
Copyright Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 384.339216036 u
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
Ionization Type Electron Ionization (EI)
Molecular Weight 384.648 g/mol
SMILES C1(CCC2(C(=C1)CCC1C2CCC2(C1CCC2C(C)CCCC(C)C)C)C)=O
SPLASH splash10-05fr-7962000000-01184ad64db6263e79bc
Sample Comments The MMPW Reference Handbook and associated Tables are attached to Record #1, under the Attachments tab. Refer to these references for an explanation of the Sample Preparation Procedure "Detected" abbreviations, as well as other relevant information pertaining to this database.
Sample Preparation Procedure Detected: U UME
Source of Spectrum H.H.Maurer, M.Meyer, K.Pfleger, A.A. Weber / University of Saarland, D-66424 Homburg Germany
Technique GC/MS
Wiley ID MMPW6e_6353