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(+/-)-2-EXO-(3'-PHENYLPROPYL)-CARBOXY-3-EXO-(3'-PHENYLPROPYL)-CARBOXY-7-ENDO-PHENYL-7-EXO-METHYLBICYCLO-[3.2.0]-HEPT-2-EN-6-ONE
SpectraBase Compound ID HTzRbgNWCwn
InChI InChI=1S/C34H36O5/c1-34(26-19-9-4-10-20-26)31-27(33(34)37)23-28(38-29(35)21-11-17-24-13-5-2-6-14-24)32(31)39-30(36)22-12-18-25-15-7-3-8-16-25/h2-10,13-16,19-20,27-28,31-32H,11-12,17-18,21-23H2,1H3/t27-,28-,31-,32-,34+/m1/s1
InChIKey VROFRSKMUIMTPP-IYOBKQRTSA-N
Mol Weight 524.7 g/mol
Molecular Formula C34H36O5
Exact Mass 524.256274 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1Qm3Fm1cnNB
Name (+/-)-2-EXO-(3'-PHENYLPROPYL)-CARBOXY-3-EXO-(3'-PHENYLPROPYL)-CARBOXY-7-ENDO-PHENYL-7-EXO-METHYLBICYCLO-[3.2.0]-HEPT-2-EN-6-ONE
Compound Number 10
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C34H36O5
InChI InChI=1S/C34H36O5/c1-34(26-19-9-4-10-20-26)31-27(33(34)37)23-28(38-29(35)21-11-17-24-13-5-2-6-14-24)32(31)39-30(36)22-12-18-25-15-7-3-8-16-25/h2-10,13-16,19-20,27-28,31-32H,11-12,17-18,21-23H2,1H3/t27-,28-,31-,32-,34+/m1/s1
InChIKey VROFRSKMUIMTPP-IYOBKQRTSA-N
Literature Reference Author I.J.S.FAIRLAMB,J.M.DICKINSON,R.OCONNOR,S.HIGSON,L.GRIEVESON, V.MARIN
Literature Reference Citation BIOORG.MED.CHEM.,10,2641(2002)
Literature Reference DOI 10.1016/S0968-0896(02)00090-1
Molecular Weight 524.657 g/mol
Solvent CDCl3
Source File Reference UWVN28599