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(+)-(10-R*)-CEMBRA-1-E,3-E,7-E,11-Z,16-PENTAEN-20,10-OLIDE
SpectraBase Compound ID 1niVBLdV0ye
InChI InChI=1S/C20H26O2/c1-14(2)17-9-8-15(3)6-5-7-16(4)12-19-13-18(11-10-17)20(21)22-19/h7-9,13,19H,1,5-6,10-12H2,2-4H3/b15-8+,16-7+,17-9+/t19-/m1/s1
InChIKey KGUUUDYKWYRRMZ-KTFRZDGWSA-N
Mol Weight 298.43 g/mol
Molecular Formula C20H26O2
Exact Mass 298.19328 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GTbzISs0Qwg
Name (+)-(10-R*)-CEMBRA-1-E,3-E,7-E,11-Z,16-PENTAEN-20,10-OLIDE
Compound Number 5
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H26O2
InChI InChI=1S/C20H26O2/c1-14(2)17-9-8-15(3)6-5-7-16(4)12-19-13-18(11-10-17)20(21)22-19/h7-9,13,19H,1,5-6,10-12H2,2-4H3/b15-8+,16-7+,17-9+/t19-/m1/s1
InChIKey KGUUUDYKWYRRMZ-KTFRZDGWSA-N
Literature Reference Author M.K.LANGAT,N.R.CROUCH,P.J.SMITH,D.A.MULHOLLAND
Literature Reference Citation J.NAT.PROD.,74,2349(2011)
Literature Reference DOI 10.1021/np2002012
Molecular Weight 298.425 g/mol
Sample ID 39516
Solvent CDCl3