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Stigmasta-4,24(28)-dien-3-one, (24E)-

View entire compound with spectra: 1 FTIR, and 4 MS (GC)

Stigmasta-4,24(28)-dien-3-one, (24E)-
SpectraBase Compound ID BdaP9Ye1If9
InChI InChI=1S/C29H46O/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/h7,18-20,24-27H,8-17H2,1-6H3/b21-7+
InChIKey JKNOXDGSYQSJQT-QPSGOUHRSA-N
Mol Weight 410.7 g/mol
Molecular Formula C29H46O
Exact Mass 410.354866 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 5RniTmSUPBz
Name Stigmasta-4,24(28)-dien-3-one, (24E)-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 410.354866100 u
Formula C29H46O
InChI InChI=1S/C29H46O/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/h7,18-20,24-27H,8-17H2,1-6H3/b21-7+
InChIKey JKNOXDGSYQSJQT-QPSGOUHRSA-N
Molecular Weight 410.686 g/mol
SMILES C\C=C/(CCC(C)C1CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C)C(C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.936498