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5a-Cholestane-4a,5a-diol-4a-acetate

View entire compound with spectra: 7 NMR, and 1 MS (GC)

5a-Cholestane-4a,5a-diol-4a-acetate
SpectraBase Compound ID Dt17Hwwnl20
InChI InChI=1S/C29H50O3/c1-19(2)9-7-10-20(3)23-12-13-24-22-14-18-29(31)26(32-21(4)30)11-8-16-28(29,6)25(22)15-17-27(23,24)5/h19-20,22-26,31H,7-18H2,1-6H3
InChIKey SXKZQQLEAKYPEY-UHFFFAOYSA-N
Mol Weight 446.7 g/mol
Molecular Formula C29H50O3
Exact Mass 446.375995 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8V3uiQGXeJ1
Name 5a-Cholestane-4a,5a-diol-4a-acetate
CAS Registry Number 5748-95-8
Copyright Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved.
Formula C29H50O3
InChI InChI=1S/C29H50O3/c1-19(2)9-7-10-20(3)23-12-13-24-22-14-18-29(31)26(32-21(4)30)11-8-16-28(29,6)25(22)15-17-27(23,24)5/h19-20,22-26,31H,7-18H2,1-6H3
InChIKey SXKZQQLEAKYPEY-UHFFFAOYSA-N
Instrument Name Varian CFT-20
Literature Reference J.M. Coxon, J.R. Gibson, Aust. J. Chem. 34, 1451 (1981).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3