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

View entire compound with spectra: 7 NMR, and 2 MS (GC)

5a-Cholestane-4a,5a-diol
SpectraBase Compound ID 8ynqjD68W31
InChI InChI=1S/C27H48O2/c1-18(2)8-6-9-19(3)21-11-12-22-20-13-17-27(29)24(28)10-7-15-26(27,5)23(20)14-16-25(21,22)4/h18-24,28-29H,6-17H2,1-5H3
InChIKey XHJMYRAEGCTDKQ-UHFFFAOYSA-N
Mol Weight 404.7 g/mol
Molecular Formula C27H48O2
Exact Mass 404.365431 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IQxrEW0j1by
Name 5a-Cholestane-4a,5a-diol
CAS Registry Number 19536-21-1
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C27H48O2
InChI InChI=1S/C27H48O2/c1-18(2)8-6-9-19(3)21-11-12-22-20-13-17-27(29)24(28)10-7-15-26(27,5)23(20)14-16-25(21,22)4/h18-24,28-29H,6-17H2,1-5H3
InChIKey XHJMYRAEGCTDKQ-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