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Cholestan-3-one

View entire compound with spectra: 2 NMR, 2 FTIR, and 3 MS (GC)

Cholestan-3-one
SpectraBase Compound ID 1vD5zAKKkCz
InChI InChI=1S/C27H46O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h18-20,22-25H,6-17H2,1-5H3/t19-,20?,22+,23-,24+,25+,26+,27-/m1/s1
InChIKey PESKGJQREUXSRR-ZTPZMMAUSA-N
Mol Weight 386.7 g/mol
Molecular Formula C27H46O
Exact Mass 386.354866 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID E3ZKWzhIyy0
Name Cholestan-3-one
Source of Sample Aldrich Chemical Company, Inc., Milwaukee, Wisconsin
Comments Some carbon atoms are unassigned
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H46O
InChI InChI=1S/C27H46O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h18-20,22-25H,6-17H2,1-5H3/t19-,20?,22+,23-,24+,25+,26+,27-/m1/s1
InChIKey PESKGJQREUXSRR-ZTPZMMAUSA-N
Melting Point 128-130C
Molecular Weight 386.67
Solvent Chloroform-d; Reference=TMS Spectrometer= Varian CFT-20