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5.alpha.-Cholestan-6-one, 3.beta.-hydroxy-, acetate

View entire compound with spectra: 1 NMR, and 5 MS (GC)

5.alpha.-Cholestan-6-one, 3.beta.-hydroxy-, acetate
SpectraBase Compound ID IGXEDWlq2Bt
InChI InChI=1S/C29H48O3/c1-18(2)8-7-9-19(3)23-10-11-24-22-17-27(31)26-16-21(32-20(4)30)12-14-29(26,6)25(22)13-15-28(23,24)5/h18-19,21-26H,7-17H2,1-6H3
InChIKey QGGRDHGCNNAWIE-UHFFFAOYSA-N
Mol Weight 444.7 g/mol
Molecular Formula C29H48O3
Exact Mass 444.360345 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 78gF4pvI5Di
Name 3b-Acetoxy-5a-cholestan-6-one
CAS Registry Number 1256-83-3
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C29H48O3
InChI InChI=1S/C29H48O3/c1-18(2)8-7-9-19(3)23-10-11-24-22-17-27(31)26-16-21(32-20(4)30)12-14-29(26,6)25(22)13-15-28(23,24)5/h18-19,21-26H,7-17H2,1-6H3
InChIKey QGGRDHGCNNAWIE-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