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5-Methyl-5a-cholestan-3-one

View entire compound with spectra: 1 NMR

5-Methyl-5a-cholestan-3-one
SpectraBase Compound ID DeAPTLMAo1Y
InChI InChI=1S/C28H48O/c1-19(2)8-7-9-20(3)23-10-11-24-22-13-15-26(4)18-21(29)12-17-28(26,6)25(22)14-16-27(23,24)5/h19-20,22-25H,7-18H2,1-6H3
InChIKey JOHMHNYVWZAWOV-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 GE01zeylgFB
Name 5-Methyl-5a-cholestan-3-one
CAS Registry Number 2102-30-9
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C28H48O
InChI InChI=1S/C28H48O/c1-19(2)8-7-9-20(3)23-10-11-24-22-13-15-26(4)18-21(29)12-17-28(26,6)25(22)14-16-27(23,24)5/h19-20,22-25H,7-18H2,1-6H3
InChIKey JOHMHNYVWZAWOV-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