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(1E,3E,7E,11E)-(14R)-ACETOXY-CEMBRA-1,3,7,11-TETRAENE
SpectraBase Compound ID 3eSOQCU8Uf4
InChI InChI=1S/C22H34O2/c1-16(2)21-14-13-18(4)11-7-9-17(3)10-8-12-19(5)15-22(21)24-20(6)23/h9,12-14,16,22H,7-8,10-11,15H2,1-6H3/b17-9+,18-13+,19-12+,21-14+/t22-/m1/s1
InChIKey NQBWCMIADAARIG-VIDNTLQTSA-N
Mol Weight 330.5 g/mol
Molecular Formula C22H34O2
Exact Mass 330.25588 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5OjamufgtfX
Name (1E,3E,7E,11E)-(14R)-ACETOXY-CEMBRA-1,3,7,11-TETRAENE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H34O2
InChI InChI=1S/C22H34O2/c1-16(2)21-14-13-18(4)11-7-9-17(3)10-8-12-19(5)15-22(21)24-20(6)23/h9,12-14,16,22H,7-8,10-11,15H2,1-6H3/b17-9+,18-13+,19-12+,21-14+/t22-/m1/s1
InChIKey NQBWCMIADAARIG-VIDNTLQTSA-N
Literature Reference Author M.PENISTON,A.D.RODRIGUEZ
Literature Reference Citation J.NAT.PROD.,54,1009(1991)
Literature Reference DOI 10.1021/np50076a014
Molecular Weight 330.511 g/mol
Solvent CDCl3
Source File Reference UWCS5613