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(REL-1S,2R)-(4'-ISOPROPYL-1,3,3-TRIMETHYL-3',6'-DIOXO-BICYCLOHEXYL-1',4'-DIEN-2-YL)-ACETIC-ACID
SpectraBase Compound ID drhd5LuFjF
InChI InChI=1S/C20H28O4/c1-12(2)13-9-16(22)14(10-15(13)21)20(5)8-6-7-19(3,4)17(20)11-18(23)24/h9-10,12,17H,6-8,11H2,1-5H3,(H,23,24)/t17-,20+/m0/s1
InChIKey RXKYDRDAPCHXPT-FXAWDEMLSA-N
Mol Weight 332.44 g/mol
Molecular Formula C20H28O4
Exact Mass 332.198759 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID B2K03R2vsnG
Name (REL-1S,2R)-(4'-ISOPROPYL-1,3,3-TRIMETHYL-3',6'-DIOXO-BICYCLOHEXYL-1',4'-DIEN-2-YL)-ACETIC-ACID
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H28O4
InChI InChI=1S/C20H28O4/c1-12(2)13-9-16(22)14(10-15(13)21)20(5)8-6-7-19(3,4)17(20)11-18(23)24/h9-10,12,17H,6-8,11H2,1-5H3,(H,23,24)/t17-,20+/m0/s1
InChIKey RXKYDRDAPCHXPT-FXAWDEMLSA-N
Literature Reference Author K.YOSHIKAWA,K.SUZUKI,A.UMEYAMA,S.ARIHARA
Literature Reference Citation CHEM.PHARM.BULL.,54,574(2006)
Literature Reference DOI 10.1248/cpb.54.574
Molecular Weight 332.440 g/mol
Sample ID 36932
Solvent CDCl3