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(-)-(AS)-(4-R,5-S,2-Z)-5-[(5-S)-5-HYDROXY-2,6,6-TRIMETHYLCYCLOHEXEN-1-YL]-4,8-EPOXY-2,7-DIMETHYL-DELTA-(2.6)-OCTADIENOIC_ACID

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(-)-(AS)-(4-R,5-S,2-Z)-5-[(5-S)-5-HYDROXY-2,6,6-TRIMETHYLCYCLOHEXEN-1-YL]-4,8-EPOXY-2,7-DIMETHYL-DELTA-(2.6)-OCTADIENOIC_ACID
SpectraBase Compound ID LYyMQ18sXem
InChI InChI=1S/C19H28O4/c1-11-8-14(15(23-10-11)9-13(3)18(21)22)17-12(2)6-7-16(20)19(17,4)5/h8-9,14-16,20H,6-7,10H2,1-5H3,(H,21,22)/b13-9-/t14-,15+,16+/m1/s1
InChIKey BCLRYAXSDWCBMO-LBKMJPPLSA-N
Mol Weight 320.43 g/mol
Molecular Formula C19H28O4
Exact Mass 320.198759 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4vGfmJSnBCL
Name (-)-(AS)-(4-R,5-S,2-Z)-5-[(5-S)-5-HYDROXY-2,6,6-TRIMETHYLCYCLOHEXEN-1-YL]-4,8-EPOXY-2,7-DIMETHYL-DELTA-(2.6)-OCTADIENOIC_ACID
Compound Number 1A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C19H28O4
InChI InChI=1S/C19H28O4/c1-11-8-14(15(23-10-11)9-13(3)18(21)22)17-12(2)6-7-16(20)19(17,4)5/h8-9,14-16,20H,6-7,10H2,1-5H3,(H,21,22)/b13-9-/t14-,15+,16+/m1/s1
InChIKey BCLRYAXSDWCBMO-LBKMJPPLSA-N
Literature Reference Author S.LIN,S.WANG,M.LIU,M.GAN,S.LI,Y.YANG,Y.WANG,W.HE,J.SHI
Literature Reference Citation J.NAT.PROD.,70,817(2007)
Literature Reference DOI 10.1021/np0700467
Molecular Weight 320.429 g/mol
Sample ID 30436
Solvent CD3OD