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4,4-Dimethylcholestan-3-ol

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

4,4-Dimethylcholestan-3-ol
SpectraBase Compound ID 53sX6SN2aen
InChI InChI=1S/C29H52O/c1-19(2)9-8-10-20(3)22-12-13-23-21-11-14-25-27(4,5)26(30)16-18-29(25,7)24(21)15-17-28(22,23)6/h19-26,30H,8-18H2,1-7H3
InChIKey PCWHWFOTXAIVFT-UHFFFAOYSA-N
Mol Weight 416.7 g/mol
Molecular Formula C29H52O
Exact Mass 416.401816 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 2VUgNMYv7DO
Name 4,4-Dimethylcholestan-3-ol
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 416.401816293 u
Formula C29H52O
InChI InChI=1S/C29H52O/c1-19(2)9-8-10-20(3)22-12-13-23-21-11-14-25-27(4,5)26(30)16-18-29(25,7)24(21)15-17-28(22,23)6/h19-26,30H,8-18H2,1-7H3
InChIKey PCWHWFOTXAIVFT-UHFFFAOYSA-N
Molecular Weight 416.734 g/mol
SMILES C1(CCC2(C(C1(C)C)CCC1C3C(CCC21)(C(C(C)CCCC(C)C)CC3)C)C)O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.942208