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SITOST-4-EN-3-ONE
SpectraBase Compound ID 65hArok6eHF
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/t20-,21-,24+,25-,26+,27+,28+,29-/m1/s1
InChIKey RUVUHIUYGJBLGI-XJZKHKOHSA-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 LVHYsPY2NE8
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
GC Column J&W DB-5 (30 m x 0.25 mm ID x 0.25 μm film thickness)
GC Oven Program 60 °C to 246 °C at 3 °C/min.
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/t20-,21-,24+,25-,26+,27+,28+,29-/m1/s1
InChIKey RUVUHIUYGJBLGI-XJZKHKOHSA-N
Molecular Weight 412.702 g/mol
Nominal Mass 412 u
Number of Peaks 255
SMILES C[C@]12[C@]([C@]3([C@](CC2)([C@]2(C)C(CC3)=CC(CC2)=O)[H])[H])(CC[C@@]1([C@@](CC[C@](C(C)C)(CC)[H])(C)[H])[H])[H]
SPLASH splash10-0596-7940100000-cb562effa89926be743d
Source ex PARAFILM
Source of Spectrum Adams' Essential Oil Components (GC-MS), Version 4
Wiley ID RA002061