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(1S,2S,3R,4R)-1,4-BIS-O-(BENZOYL)-3-(METHOXYCARBONYLHEPYL)-2-[(E)-3-OXOPENT-1-ENYL]-CYCLOPENTANE-1,4-DIOL
SpectraBase Compound ID K7ej9Y2xRqd
InChI InChI=1S/C33H40O7/c1-3-26(34)21-22-28-27(19-13-5-4-6-14-20-31(35)38-2)29(39-32(36)24-15-9-7-10-16-24)23-30(28)40-33(37)25-17-11-8-12-18-25/h7-12,15-18,21-22,27-30H,3-6,13-14,19-20,23H2,1-2H3/b22-21+/t27-,28+,29-,30+/m1/s1
InChIKey PBUGZWHZRJGHSN-QUZVECGQSA-N
Mol Weight 548.7 g/mol
Molecular Formula C33H40O7
Exact Mass 548.277404 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID J2lCVzvHE3p
Name (1S,2S,3R,4R)-1,4-BIS-O-(BENZOYL)-3-(METHOXYCARBONYLHEPYL)-2-[(E)-3-OXOPENT-1-ENYL]-CYCLOPENTANE-1,4-DIOL
Compound Number 15
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C33H40O7
InChI InChI=1S/C33H40O7/c1-3-26(34)21-22-28-27(19-13-5-4-6-14-20-31(35)38-2)29(39-32(36)24-15-9-7-10-16-24)23-30(28)40-33(37)25-17-11-8-12-18-25/h7-12,15-18,21-22,27-30H,3-6,13-14,19-20,23H2,1-2H3/b22-21+/t27-,28+,29-,30+/m1/s1
InChIKey PBUGZWHZRJGHSN-QUZVECGQSA-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 548.676 g/mol
Solvent CDCl3
Source File Reference UWVN21274