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

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

CARNEIC_ACID_B;5-[5-R-HYDROXY-2-S-(3-HYDROXY-1-METHYLPROPENYL)-1-R,2-S,4A-R,5,6,7,8-R,8A-R-OCTAHYDRONAPHTHALEN-1-YL]-PENTA-2-E,4-E-DIENOIC-ACID
SpectraBase Compound ID 896jmlNxtDZ
InChI InChI=1S/C21H30O4/c1-13-8-9-18(23)17-12-15(3)20(14(2)10-11-22)16(21(13)17)6-4-5-7-19(24)25/h4-7,10,12-13,16-18,20-23H,8-9,11H2,1-3H3,(H,24,25)/b6-4+,7-5+,14-10+/t13-,16+,17+,18-,20+,21-/m1/s1
InChIKey YGIXVFNOSSPFLR-RYAGCBDWSA-N
Mol Weight 346.47 g/mol
Molecular Formula C21H30O4
Exact Mass 346.214409 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JSmGm3Oz3mq
Name CARNEIC_ACID_B;5-[5-R-HYDROXY-2-S-(3-HYDROXY-1-METHYLPROPENYL)-1-R,2-S,4A-R,5,6,7,8-R,8A-R-OCTAHYDRONAPHTHALEN-1-YL]-PENTA-2-E,4-E-DIENOIC-ACID
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H30O4
InChI InChI=1S/C21H30O4/c1-13-8-9-18(23)17-12-15(3)20(14(2)10-11-22)16(21(13)17)6-4-5-7-19(24)25/h4-7,10,12-13,16-18,20-23H,8-9,11H2,1-3H3,(H,24,25)/b6-4+,7-5+,14-10+/t13-,16+,17+,18-,20+,21-/m1/s1
InChIKey YGIXVFNOSSPFLR-RYAGCBDWSA-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 346.467 g/mol
Solvent CD3OD
Source File Reference UWMZ15589