For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
3.BETA.-HYDROXY-CHOLEST-5-ENE-7-ONE
SpectraBase Compound ID 8EEhRqBx34q
InChI InChI=1S/C27H44O2/c1-17(2)7-6-8-18(3)21-9-10-22-25-23(12-14-27(21,22)5)26(4)13-11-20(28)15-19(26)16-24(25)29/h16-18,20-23,25,28H,6-15H2,1-5H3
InChIKey YIKKMWSQVKJCOP-UHFFFAOYSA-N
Mol Weight 400.6 g/mol
Molecular Formula C27H44O2
Exact Mass 400.334131 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 1n3thmQMbtD
Name 3.BETA.-HYDROXY-CHOLEST-5-ENE-7-ONE
Alternate Name(s) 3-HYDROXYCHOLEST-5-EN-7-ONE
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C27H44O2
InChI InChI=1S/C27H44O2/c1-17(2)7-6-8-18(3)21-9-10-22-25-23(12-14-27(21,22)5)26(4)13-11-20(28)15-19(26)16-24(25)29/h16-18,20-23,25,28H,6-15H2,1-5H3
InChIKey YIKKMWSQVKJCOP-UHFFFAOYSA-N
Nominal Mass 400 u
Owner Database Compilation (C) 2005 Wiley & Sons, Inc.
SMILES C12(C)CCC3C(C(=O)C=C4C3(C)CCC(O)C4)C2CCC1C(C)CCCC(C)C
SPLASH splash10-0udi-4311900000-f0dca23112274a8faf65
Source File Reference LMCM-70362-735G
Source of Spectrum Copyright (C) Prof. Spiteller, University Bayreuth, Germany