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Cholesterol benzoate

View entire compound with spectra: 4 NMR, and 2 MS (GC)

Cholesterol benzoate
SpectraBase Compound ID JXw8iTA1okI
InChI InChI=1S/C34H50O2/c1-23(2)10-9-11-24(3)29-16-17-30-28-15-14-26-22-27(36-32(35)25-12-7-6-8-13-25)18-20-33(26,4)31(28)19-21-34(29,30)5/h6-8,12-14,23-24,27-31H,9-11,15-22H2,1-5H3
InChIKey UVZUFUGNHDDLRQ-UHFFFAOYSA-N
Mol Weight 490.8 g/mol
Molecular Formula C34H50O2
Exact Mass 490.381081 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BHRdXnQfJ7D
Name Cholesteryl benzoate
CAS Registry Number 604-32-0
Copyright Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved.
Formula C34H50O2
InChI InChI=1S/C34H50O2/c1-23(2)10-9-11-24(3)29-16-17-30-28-15-14-26-22-27(36-32(35)25-12-7-6-8-13-25)18-20-33(26,4)31(28)19-21-34(29,30)5/h6-8,12-14,23-24,27-31H,9-11,15-22H2,1-5H3
InChIKey UVZUFUGNHDDLRQ-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