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Cholestan-3,22,26-triol

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

Cholestan-3,22,26-triol
SpectraBase Compound ID JSmoYJ16t5u
InChI InChI=1S/C27H48O3/c1-17(16-28)5-10-25(30)18(2)22-8-9-23-21-7-6-19-15-20(29)11-13-26(19,3)24(21)12-14-27(22,23)4/h17-25,28-30H,5-16H2,1-4H3
InChIKey UIHBLSYNQQGXQT-UHFFFAOYSA-N
Mol Weight 420.7 g/mol
Molecular Formula C27H48O3
Exact Mass 420.360345 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 7uwfhIS4kKw
Name Cholestan-3,22,26-triol
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 420.360345403 u
Formula C27H48O3
InChI InChI=1S/C27H48O3/c1-17(16-28)5-10-25(30)18(2)22-8-9-23-21-7-6-19-15-20(29)11-13-26(19,3)24(21)12-14-27(22,23)4/h17-25,28-30H,5-16H2,1-4H3
InChIKey UIHBLSYNQQGXQT-UHFFFAOYSA-N
Molecular Weight 420.678 g/mol
SMILES C1(CCC2(C(C1)CCC1C2CCC2(C1CCC2C(C(CCC(CO)C)O)C)C)C)O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.919046