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#1;CARNEIC_ACID_A;5-[5-R-HYDROXY-3,8-R-DIMETHYL-2-S-(1-METHYLPROPENYL)-1-R,2-S,4A-R,5,6,7,8-R,8A-R-HYDRONAPHTHALEN-1-YL]-PENTA-2E,4E-DIENOIC-ACID

View entire compound with spectra: 1 NMR, and 1 MS (GC)

#1;CARNEIC_ACID_A;5-[5-R-HYDROXY-3,8-R-DIMETHYL-2-S-(1-METHYLPROPENYL)-1-R,2-S,4A-R,5,6,7,8-R,8A-R-HYDRONAPHTHALEN-1-YL]-PENTA-2E,4E-DIENOIC-ACID
SpectraBase Compound ID FSreebeWN5T
InChI InChI=1S/C21H30O3/c1-5-13(2)20-15(4)12-17-18(22)11-10-14(3)21(17)16(20)8-6-7-9-19(23)24/h5-9,12,14,16-18,20-22H,10-11H2,1-4H3,(H,23,24)/b8-6+,9-7+,13-5+/t14-,16+,17+,18-,20+,21-/m1/s1
InChIKey KNDPLJZJPQWOMQ-XLSWVBTGSA-N
Mol Weight 330.47 g/mol
Molecular Formula C21H30O3
Exact Mass 330.219495 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BIdqL2kGeZ4
Name #1;CARNEIC_ACID_A;5-[5-R-HYDROXY-3,8-R-DIMETHYL-2-S-(1-METHYLPROPENYL)-1-R,2-S,4A-R,5,6,7,8-R,8A-R-HYDRONAPHTHALEN-1-YL]-PENTA-2E,4E-DIENOIC-ACID
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H30O3
InChI InChI=1S/C21H30O3/c1-5-13(2)20-15(4)12-17-18(22)11-10-14(3)21(17)16(20)8-6-7-9-19(23)24/h5-9,12,14,16-18,20-22H,10-11H2,1-4H3,(H,23,24)/b8-6+,9-7+,13-5+/t14-,16+,17+,18-,20+,21-/m1/s1
InChIKey KNDPLJZJPQWOMQ-XLSWVBTGSA-N
Literature Reference Author D.N.QUANG,M.STADLER,J.FOURNIER,Y.ASAKAWA
Literature Reference Citation J.NAT.PROD.,69,1198(2006)
Literature Reference DOI 10.1021/np0602057
Molecular Weight 330.467 g/mol
Solvent CDCl3
Source File Reference UWMZ15588