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Cholestan-3-one, 4-methyl-, (4.alpha.,5.alpha.)-

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

Cholestan-3-one, 4-methyl-, (4.alpha.,5.alpha.)-
SpectraBase Compound ID DesyEJ6wTT1
InChI InChI=1S/C28H48O/c1-18(2)8-7-9-19(3)22-12-13-24-21-10-11-23-20(4)26(29)15-17-28(23,6)25(21)14-16-27(22,24)5/h18-25H,7-17H2,1-6H3
InChIKey CMDFMNRXDJEXBA-UHFFFAOYSA-N
Mol Weight 400.7 g/mol
Molecular Formula C28H48O
Exact Mass 400.370516 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DSwuDTfwnuw
Name 4a-Methyl-5a-cholestan-3-one
CAS Registry Number 984-87-2
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C28H48O
InChI InChI=1S/C28H48O/c1-18(2)8-7-9-19(3)22-12-13-24-21-10-11-23-20(4)26(29)15-17-28(23,6)25(21)14-16-27(22,24)5/h18-25H,7-17H2,1-6H3
InChIKey CMDFMNRXDJEXBA-UHFFFAOYSA-N
Instrument Name Jeol FX-90
Literature Reference T. Iida, M. Kikuchi, T. Ishikawa, Org. Magn. Resonance 19, 228 (1982).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3