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6-Ketocholestanol

View entire compound with spectra: 3 NMR, 2 FTIR, and 1 MS (GC)

6-Ketocholestanol
SpectraBase Compound ID qY1KTomMa0
InChI InChI=1S/C27H46O2/c1-17(2)7-6-8-18(3)21-9-10-22-20-16-25(29)24-15-19(28)11-13-27(24,5)23(20)12-14-26(21,22)4/h17-24,28H,6-16H2,1-5H3/t18-,19+,20+,21-,22+,23+,24-,26-,27-/m1/s1
InChIKey JQMQKOQOLPGBBE-ZNCJEFCDSA-N
Mol Weight 402.7 g/mol
Molecular Formula C27H46O2
Exact Mass 402.349781 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID F8EmH51z073
Name 5α-Cholestan-3β-ol-6-one
Source of Sample Aldrich Chemical Company, Inc., Milwaukee, Wisconsin
Catalog Number K60-6
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H46O2
InChI InChI=1S/C27H46O2/c1-17(2)7-6-8-18(3)21-9-10-22-20-16-25(29)24-15-19(28)11-13-27(24,5)23(20)12-14-26(21,22)4/h17-24,28H,6-16H2,1-5H3/t18-,19+,20+,21-,22+,23+,24-,26-,27-/m1/s1
InChIKey JQMQKOQOLPGBBE-ZNCJEFCDSA-N
Melting Point 140-142C
Molecular Weight 402.662994
Synonyms CHOLESTAN-6-ONE, 3-HYDROXY-,
Technique KBr WAFER