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(1'RS,6'S)-ACETIC-ACID-[6'-ACETOXY-3'-(4''-CYANO-3''-METHYLBUTA-1'',3''-DIENYL)-2',4',4'-TRIMETHYLCYCLOHEX-2'-ENYL]-ESTER

View entire compound with spectra: 1 NMR

(1'RS,6'S)-ACETIC-ACID-[6'-ACETOXY-3'-(4''-CYANO-3''-METHYLBUTA-1'',3''-DIENYL)-2',4',4'-TRIMETHYLCYCLOHEX-2'-ENYL]-ESTER
SpectraBase Compound ID EOgdcFn5CjW
InChI InChI=1S/2C19H25NO4/c2*1-12(9-10-20)7-8-16-13(2)18(24-15(4)22)17(23-14(3)21)11-19(16,5)6/h2*7-9,17-18H,11H2,1-6H3/b2*8-7+,12-9-/t17-,18+;17-,18-/m11/s1
InChIKey UAVVWRCOGKTVOK-DJGPHDNSSA-N
Mol Weight 662.82 g/mol
Molecular Formula C38H50N2O8
Exact Mass 662.356717 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JLRiPeR5N1V
Name (1'RS,6'S)-ACETIC-ACID-[6'-ACETOXY-3'-(4''-CYANO-3''-METHYLBUTA-1'',3''-DIENYL)-2',4',4'-TRIMETHYLCYCLOHEX-2'-ENYL]-ESTER
Compound Number 21/22
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C38H50N2O8
InChI InChI=1S/2C19H25NO4/c2*1-12(9-10-20)7-8-16-13(2)18(24-15(4)22)17(23-14(3)21)11-19(16,5)6/h2*7-9,17-18H,11H2,1-6H3/b2*8-7+,12-9-/t17-,18+;17-,18-/m11/s1
InChIKey UAVVWRCOGKTVOK-DJGPHDNSSA-N
Literature Reference Author D.J.BUSCHOR,C.H.EUGSTER
Literature Reference Citation HELV.CHIM.ACTA,73,1002(1990)
Literature Reference DOI 10.1002/hlca.19900730426
Molecular Weight 662.824 g/mol
Solvent CDCl3
Source File Reference UWCS12560