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PLAKORTIDE-N;(3S,4S,6R,7E,10R,11E)-3,6-EPIDIOXY-4,6,8,10-TETRAETHYLTETRADECA-7,11-DIENOIC-ACID
SpectraBase Compound ID CpHD9X8Grm0
InChI InChI=1S/C22H38O4/c1-6-11-12-17(7-2)13-18(8-3)15-22(10-5)16-19(9-4)20(25-26-22)14-21(23)24/h11-12,15,17,19-20H,6-10,13-14,16H2,1-5H3,(H,23,24)/b12-11+,18-15+/t17-,19-,20-,22-/m0/s1
InChIKey HGRUNRAUYWALHI-XICUHNIJSA-N
Mol Weight 366.5 g/mol
Molecular Formula C22H38O4
Exact Mass 366.27701 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DgwDnAkL4nk
Name PLAKORTIDE-N;(3S,4S,6R,7E,10R,11E)-3,6-EPIDIOXY-4,6,8,10-TETRAETHYLTETRADECA-7,11-DIENOIC-ACID
Compound Number 4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H38O4
InChI InChI=1S/C22H38O4/c1-6-11-12-17(7-2)13-18(8-3)15-22(10-5)16-19(9-4)20(25-26-22)14-21(23)24/h11-12,15,17,19-20H,6-10,13-14,16H2,1-5H3,(H,23,24)/b12-11+,18-15+/t17-,19-,20-,22-/m0/s1
InChIKey HGRUNRAUYWALHI-XICUHNIJSA-N
Literature Reference Author M.D.S.JIMENEZ,S.P.GARZON,A.D.RODRIGUEZ
Literature Reference Citation J.NAT.PROD.,66,655(2003)
Literature Reference DOI 10.1021/np030021h
Molecular Weight 366.541 g/mol
Solvent CDCl3
Source File Reference UWSI7740