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5-Methoxy-5a-cholestan-3-one

View entire compound with spectra: 1 NMR

5-Methoxy-5a-cholestan-3-one
SpectraBase Compound ID D1E0aPCRWO8
InChI InChI=1S/C28H48O2/c1-19(2)8-7-9-20(3)23-10-11-24-22-13-17-28(30-6)18-21(29)12-16-27(28,5)25(22)14-15-26(23,24)4/h19-20,22-25H,7-18H2,1-6H3
InChIKey CBSKQULHAUQJOU-UHFFFAOYSA-N
Mol Weight 416.7 g/mol
Molecular Formula C28H48O2
Exact Mass 416.365431 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CyizdZBT85I
Name 5-Methoxy-5a-cholestan-3-one
CAS Registry Number 56871-54-6
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C28H48O2
InChI InChI=1S/C28H48O2/c1-19(2)8-7-9-20(3)23-10-11-24-22-13-17-28(30-6)18-21(29)12-16-27(28,5)25(22)14-15-26(23,24)4/h19-20,22-25H,7-18H2,1-6H3
InChIKey CBSKQULHAUQJOU-UHFFFAOYSA-N
Literature Reference J.W. Blunt, J.B. Stothers, Org. Magn. Resonance 9, 439 (1977).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3