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d-Homopregnan-20-one, (5.alpha.)-

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

d-Homopregnan-20-one, (5.alpha.)-
SpectraBase Compound ID 7FMeJ7MMVLR
InChI InChI=1S/C22H36O/c1-15(23)18-8-6-9-19-17-11-10-16-7-4-5-13-21(16,2)20(17)12-14-22(18,19)3/h16-20H,4-14H2,1-3H3
InChIKey JGSFSCPYAZYXRL-UHFFFAOYSA-N
Mol Weight 316.5 g/mol
Molecular Formula C22H36O
Exact Mass 316.276616 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID Ljo7UEe5K1k
Name D-Homopregnan-20-one, (5.alpha.)-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 316.276615778 u
Formula C22H36O
InChI InChI=1S/C22H36O/c1-15(23)18-8-6-9-19-17-11-10-16-7-4-5-13-21(16,2)20(17)12-14-22(18,19)3/h16-20H,4-14H2,1-3H3
InChIKey JGSFSCPYAZYXRL-UHFFFAOYSA-N
Molecular Weight 316.529 g/mol
SMILES C1CCC2(C(C1)CCC1C2CCC2(C1CCCC2C(C)=O)C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.913503