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(1R,2R)-1-O-BENZOYL-2-(ETHYL)-3-[(E)-ETHYLCARBONYL-3-OXOUNDECA-1-ENYL]-CYCLOPENT-3E-ENE
SpectraBase Compound ID 1jtTPkxPP9Y
InChI InChI=1S/C27H36O5/c1-3-24-21(18-20-25(24)32-27(30)22-13-9-8-10-14-22)17-19-23(28)15-11-6-5-7-12-16-26(29)31-4-2/h8-10,13-14,17-19,24-25H,3-7,11-12,15-16,20H2,1-2H3/b19-17+/t24-,25-/m1/s1
InChIKey OHOXUHWGUIWRHY-GKEGDRHBSA-N
Mol Weight 440.6 g/mol
Molecular Formula C27H36O5
Exact Mass 440.256274 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DaBeaeMbs8O
Name (1R,2R)-1-O-BENZOYL-2-(ETHYL)-3-[(E)-ETHYLCARBONYL-3-OXOUNDECA-1-ENYL]-CYCLOPENT-3E-ENE
Compound Number 28
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H36O5
InChI InChI=1S/C27H36O5/c1-3-24-21(18-20-25(24)32-27(30)22-13-9-8-10-14-22)17-19-23(28)15-11-6-5-7-12-16-26(29)31-4-2/h8-10,13-14,17-19,24-25H,3-7,11-12,15-16,20H2,1-2H3/b19-17+/t24-,25-/m1/s1
InChIKey OHOXUHWGUIWRHY-GKEGDRHBSA-N
Literature Reference Author S.E.FANGOUR,A.GUY,V.DESPRES,J.P.VIDAL,J.C.ROSSI,T.DURAND
Literature Reference Citation J.ORG.CHEM.,69,2498(2004)
Literature Reference DOI 10.1021/jo035638i
Molecular Weight 440.580 g/mol
Solvent CDCl3
Source File Reference UWVN21284