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

*Links on SpectraBase are not permalinks.
Ergosta-4,22-dien-3-one
SpectraBase Compound ID FNwo3zV5YMh
InChI InChI=1S/C28H44O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h7-8,17-20,23-26H,9-16H2,1-6H3/b8-7+
InChIKey OWYXOXZSAKVGHJ-BQYQJAHWSA-N
Mol Weight 396.7 g/mol
Molecular Formula C28H44O
Exact Mass 396.339216 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 LRdURq6NjfJ
Name ERGOSTA-4,22-DIENE-3-ONE
Alternate Name(s) ERGOSTA-4,22-DIEN-3-ONE
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C28H44O
InChI InChI=1S/C28H44O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h7-8,17-20,23-26H,9-16H2,1-6H3/b8-7+
InChIKey OWYXOXZSAKVGHJ-BQYQJAHWSA-N
Nominal Mass 396 u
Owner Database Compilation (C) 2005 Wiley & Sons, Inc.
SMILES C12(C)CCC3C(CCC=4C3(C)CCC(=O)C4)C2CCC1C(C)\C=C\C(C)C(C)C
SPLASH splash10-066s-9562000000-7d88df2f83e2dbb3c7de
Source File Reference LMCM-68719-386N
Source of Spectrum Copyright (C) Prof. Spiteller, University Bayreuth, Germany