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Octanoic acid, cholesteryl ester

View entire compound with spectra: 1 NMR

Octanoic acid, cholesteryl ester
SpectraBase Compound ID 898j8Jl5Nxx
InChI InChI=1S/C35H60O2/c1-7-8-9-10-11-15-33(36)37-28-20-22-34(5)27(24-28)16-17-29-31-19-18-30(26(4)14-12-13-25(2)3)35(31,6)23-21-32(29)34/h16,25-26,28-32H,7-15,17-24H2,1-6H3
InChIKey SKLBBRQPVZDTNM-UHFFFAOYSA-N
Mol Weight 512.9 g/mol
Molecular Formula C35H60O2
Exact Mass 512.459331 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IstB2tILOUr
Name Octanoic acid, cholesteryl ester
CAS Registry Number 1182-42-9
Comments REASSIGNED A.H.
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C35H60O2
InChI InChI=1S/C35H60O2/c1-7-8-9-10-11-15-33(36)37-28-20-22-34(5)27(24-28)16-17-29-31-19-18-30(26(4)14-12-13-25(2)3)35(31,6)23-21-32(29)34/h16,25-26,28-32H,7-15,17-24H2,1-6H3
InChIKey SKLBBRQPVZDTNM-UHFFFAOYSA-N
Instrument Name Varian CFT-20
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3