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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 4Po2LZhuswg
Name 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
Instrument Name VG70
Molecular Weight 384.34
SMILES C1(C=C2CCC3C4CCC(C(CCCC(C)C)C)C4(C)CCC3C2(C)CC1)=O
SPLASH splash10-05gi-4932000000-dc7e5542812f7daf3656
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany