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5a-Cholestane-3a,5a-diol-3a-acetate

View entire compound with spectra: 2 NMR, and 6 MS (GC)

5a-Cholestane-3a,5a-diol-3a-acetate
SpectraBase Compound ID 9kwGFhGXgPr
InChI InChI=1S/C29H50O3/c1-19(2)8-7-9-20(3)24-10-11-25-23-13-17-29(31)18-22(32-21(4)30)12-16-28(29,6)26(23)14-15-27(24,25)5/h19-20,22-26,31H,7-18H2,1-6H3
InChIKey XGBHFLNWQIPOQW-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 28BPYwAiVgZ
Name 5a-Cholestane-3b,5a-diol 3b-acetate
CAS Registry Number 1256-33-3
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C29H50O3
InChI InChI=1S/C29H50O3/c1-19(2)8-7-9-20(3)24-10-11-25-23-13-17-29(31)18-22(32-21(4)30)12-16-28(29,6)26(23)14-15-27(24,25)5/h19-20,22-26,31H,7-18H2,1-6H3
InChIKey XGBHFLNWQIPOQW-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