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22R-Hydroxy-cholesteryl benzoate

View entire compound with spectra: 2 NMR

22R-Hydroxy-cholesteryl benzoate
SpectraBase Compound ID 52fOHvRvE6Q
InChI InChI=1S/C34H50O3/c1-22(2)11-16-31(35)23(3)28-14-15-29-27-13-12-25-21-26(37-32(36)24-9-7-6-8-10-24)17-19-33(25,4)30(27)18-20-34(28,29)5/h6-10,12,22-23,26-31,35H,11,13-21H2,1-5H3
InChIKey VUACHJKHEUUAIM-UHFFFAOYSA-N
Mol Weight 506.8 g/mol
Molecular Formula C34H50O3
Exact Mass 506.375995 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DCkpgSuaRk7
Name 22R-Hydroxy-cholesteryl benzoate
CAS Registry Number 17954-94-8
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C34H50O3
InChI InChI=1S/C34H50O3/c1-22(2)11-16-31(35)23(3)28-14-15-29-27-13-12-25-21-26(37-32(36)24-9-7-6-8-10-24)17-19-33(25,4)30(27)18-20-34(28,29)5/h6-10,12,22-23,26-31,35H,11,13-21H2,1-5H3
InChIKey VUACHJKHEUUAIM-UHFFFAOYSA-N
Instrument Name Bruker HX-90
Literature Reference Y. Letourneux, Q. Khuong-Huu, G. Lukacs, J. Org. Chem. 40, 1674 (1975).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3