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S-[(E,E)-8-O-(2-N-METHYL-AMINOBENZOYL)-3,7,11-TRIMETHYL-2,6,10-DODECATRIENE]-L-CYSTEINE-METHYLESTER
SpectraBase Compound ID KgN2g4RQNO2
InChI InChI=1S/C27H40N2O4S/c1-20(10-8-12-21(2)16-17-34-19-24(28)27(31)32-5)11-9-13-22(3)18-33-26(30)23-14-6-7-15-25(23)29-4/h6-7,10,13-16,24,29H,8-9,11-12,17-19,28H2,1-5H3/b20-10+,21-16+,22-13+/t24-/m0/s1
InChIKey CUDLTDSNOKSZTD-PXDVSDROSA-N
Mol Weight 488.7 g/mol
Molecular Formula C27H40N2O4S
Exact Mass 488.270879 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ETY2z4C7Oec
Name S-[(E,E)-8-O-(2-N-METHYL-AMINOBENZOYL)-3,7,11-TRIMETHYL-2,6,10-DODECATRIENE]-L-CYSTEINE-METHYLESTER
Compound Number 9B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H40N2O4S
InChI InChI=1S/C27H40N2O4S/c1-20(10-8-12-21(2)16-17-34-19-24(28)27(31)32-5)11-9-13-22(3)18-33-26(30)23-14-6-7-15-25(23)29-4/h6-7,10,13-16,24,29H,8-9,11-12,17-19,28H2,1-5H3/b20-10+,21-16+,22-13+/t24-/m0/s1
InChIKey CUDLTDSNOKSZTD-PXDVSDROSA-N
Literature Reference Author K.KUHN,D.J.OWEN,B.BADER,A.WITTINGHOFER,J.KUHLMANN,H.WALDMANN
Literature Reference Citation J.AM.CHEM.SOC.,123,1023(2001)
Literature Reference DOI 10.1021/ja002723o
Molecular Weight 488.686 g/mol
Solvent CDCl3
Source File Reference UWSI23415