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COPALIC_ACID;5-(2-METHYLENE-5,5,8A-TRIMEHYL-(1-R,4A-R,8A-R)-DECAHYDRONAPHTHALEN-1-YL)-3-METHYLPENT-2-E-ENOIC_ACID
SpectraBase Compound ID 4WIGtPf7WRF
InChI InChI=1S/C20H32O2/c1-14(13-18(21)22)7-9-16-15(2)8-10-17-19(3,4)11-6-12-20(16,17)5/h13,16-17H,2,6-12H2,1,3-5H3,(H,21,22)/b14-13+/t16-,17-,20+/m1/s1
InChIKey JFQBNOIJWROZGE-HPMXROJMSA-N
Mol Weight 304.5 g/mol
Molecular Formula C20H32O2
Exact Mass 304.24023 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9LKyR155T14
Name COPALIC_ACID;5-(2-METHYLENE-5,5,8A-TRIMEHYL-(1-R,4A-R,8A-R)-DECAHYDRONAPHTHALEN-1-YL)-3-METHYLPENT-2-E-ENOIC_ACID
Compound Number 6
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H32O2
InChI InChI=1S/C20H32O2/c1-14(13-18(21)22)7-9-16-15(2)8-10-17-19(3,4)11-6-12-20(16,17)5/h13,16-17H,2,6-12H2,1,3-5H3,(H,21,22)/b14-13+/t16-,17-,20+/m1/s1
InChIKey JFQBNOIJWROZGE-HPMXROJMSA-N
Literature Reference Author A.L.CAVIN,A.E.HAY,A.MARSTON,H.STOECKLI-EVANS,R.SCOPELLITI,D. DIALLO,K.HOSTETTMANN
Literature Reference Citation J.NAT.PROD.,69,768(2006)
Literature Reference DOI 10.1021/np058123q
Molecular Weight 304.473 g/mol
Solvent CDCl3
Source File Reference UWMZ18353