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(1S,2S,3R,4R)-1,4-BIS-O-(BENZOYL)-3-(ETHYL)-2-[(E)-ETHYLCARBONYL-3S-HYDROXY-UNDECA-1-ENYL]-CYCLOPENTANE-1,4-DIOL
SpectraBase Compound ID 6nZ4bY2yy08
InChI InChI=1S/C34H44O7/c1-3-28-29(23-22-27(35)20-14-6-5-7-15-21-32(36)39-4-2)31(41-34(38)26-18-12-9-13-19-26)24-30(28)40-33(37)25-16-10-8-11-17-25/h8-13,16-19,22-23,27-31,35H,3-7,14-15,20-21,24H2,1-2H3/b23-22+/t27-,28+,29-,30+,31-/m0/s1
InChIKey HRDOEAQOHUXFJT-NTSLLKLSSA-N
Mol Weight 564.7 g/mol
Molecular Formula C34H44O7
Exact Mass 564.308704 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Gb53hfIzqL
Name (1S,2S,3R,4R)-1,4-BIS-O-(BENZOYL)-3-(ETHYL)-2-[(E)-ETHYLCARBONYL-3S-HYDROXY-UNDECA-1-ENYL]-CYCLOPENTANE-1,4-DIOL
Compound Number 30
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C34H44O7
InChI InChI=1S/C34H44O7/c1-3-28-29(23-22-27(35)20-14-6-5-7-15-21-32(36)39-4-2)31(41-34(38)26-18-12-9-13-19-26)24-30(28)40-33(37)25-16-10-8-11-17-25/h8-13,16-19,22-23,27-31,35H,3-7,14-15,20-21,24H2,1-2H3/b23-22+/t27-,28+,29-,30+,31-/m0/s1
InChIKey HRDOEAQOHUXFJT-NTSLLKLSSA-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 564.719 g/mol
Solvent CDCl3
Source File Reference UWVN21288