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Cholan-3-ol

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

Cholan-3-ol
SpectraBase Compound ID FsgvVqgpv6H
InChI InChI=1S/C24H42O/c1-5-6-16(2)20-9-10-21-19-8-7-17-15-18(25)11-13-23(17,3)22(19)12-14-24(20,21)4/h16-22,25H,5-15H2,1-4H3
InChIKey ODFHHECDCZZICL-UHFFFAOYSA-N
Mol Weight 346.6 g/mol
Molecular Formula C24H42O
Exact Mass 346.323566 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 2sPVI6iRjYx
Name Cholan-3-ol
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 346.323565971 u
Formula C24H42O
InChI InChI=1S/C24H42O/c1-5-6-16(2)20-9-10-21-19-8-7-17-15-18(25)11-13-23(17,3)22(19)12-14-24(20,21)4/h16-22,25H,5-15H2,1-4H3
InChIKey ODFHHECDCZZICL-UHFFFAOYSA-N
Molecular Weight 346.599 g/mol
SMILES CC12C(C3C(CC2)C2(C)C(CC3)CC(CC2)O)CCC1C(CCC)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.924837