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A-Homocholest-4A-en-3-one

View entire compound with spectra: 1 FTIR

A-Homocholest-4A-en-3-one
SpectraBase Compound ID FUOSgWvBgtw
InChI InChI=1S/C28H46O/c1-19(2)7-6-8-20(3)24-13-14-25-23-12-10-21-9-11-22(29)15-17-27(21,4)26(23)16-18-28(24,25)5/h9,19-20,23-26H,6-8,10-18H2,1-5H3
InChIKey VHPRBXUNJWVFTI-UHFFFAOYSA-N
Mol Weight 398.7 g/mol
Molecular Formula C28H46O
Exact Mass 398.354866 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 6VDVbc35c7P
Name A-Homocholest-4A-en-3-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 398.354866100 u
Formula C28H46O
InChI InChI=1S/C28H46O/c1-19(2)7-6-8-20(3)24-13-14-25-23-12-10-21-9-11-22(29)15-17-27(21,4)26(23)16-18-28(24,25)5/h9,19-20,23-26H,6-8,10-18H2,1-5H3
InChIKey VHPRBXUNJWVFTI-UHFFFAOYSA-N
Molecular Weight 398.675 g/mol
SMILES C12(C(CCC3C2CCC2(C3CCC2C(CCCC(C)C)C)C)=CCC(CC1)=O)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.874755