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Stigmast-4-en-3-one

View entire compound with spectra: 4 MS (GC)

Stigmast-4-en-3-one
SpectraBase Compound ID EkuItDV8XgP
InChI InChI=1S/C29H48O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h18-21,24-27H,7-17H2,1-6H3
InChIKey RUVUHIUYGJBLGI-UHFFFAOYSA-N
Mol Weight 412.7 g/mol
Molecular Formula C29H48O
Exact Mass 412.370516 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DyBwcx3OfQy
Name Stigmast-4-en-3-one
CAS Registry Number 1058-61-3
Copyright Database Compilation Copyright © 2023-2024 John Wiley and Sons, Inc. Copyright © 2023-2024 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. All Rights Reserved.
Exact Mass 412.370516165 u
Formula C29H48O
InChI InChI=1S/C29H48O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h18-21,24-27H,7-17H2,1-6H3
InChIKey RUVUHIUYGJBLGI-UHFFFAOYSA-N
Molecular Weight 412.702 g/mol
Number of Peaks 50
RI1 3240
SMILES CC12C(C3C(C4(C)C(=CC(=O)CC4)CC3)CC1)CCC2C(CCC(C(C)C)CC)C
SPLASH splash10-0596-9630100000-db26e065b5513bb5546c
Sample Comments RI1: measured on SLB-5ms (Hydro) RI2: measured on SLB-5ms (FAMEs) RI3: measured on Supelcowax-10 (FAMEs) RI4: measured on Supelcowax-10 (FAEEs) RI5: measured on Equity-1 (Hydro)
Source of Spectrum Prof. L. Mondello (Chromaleont s.r.l./Univ. Messina, Italy)
Synonyms Stigmast-4-en-3-one
Wiley ID LM_FFNSC3_2111