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#6;Gamma-isomer;(4Z,9Z,15Z)-7,12-diethyl-1,19,23,24-tetrahydro-3,13,17-trimethyl-1,19-dioxo-8-(trifluoromethyl)-21H-bilin-2,18-dipropionic-acid-dimethylester

View entire compound with spectra: 2 NMR

#6;Gamma-isomer;(4Z,9Z,15Z)-7,12-diethyl-1,19,23,24-tetrahydro-3,13,17-trimethyl-1,19-dioxo-8-(trifluoromethyl)-21H-bilin-2,18-dipropionic-acid-dimethylester
SpectraBase Compound ID 4t7kzqRlSWB
InChI InChI=1S/C35H39F3N4O6/c1-8-20-17(3)24(14-25-18(4)22(33(45)41-25)10-12-30(43)47-6)39-27(20)16-29-32(35(36,37)38)21(9-2)28(40-29)15-26-19(5)23(34(46)42-26)11-13-31(44)48-7/h14-16,39H,8-13H2,1-7H3,(H,41,45)(H,42,46)/b25-14-,26-15-,29-16-
InChIKey GGUXIOXHLSDHSL-WTXLEIRESA-N
Mol Weight 668.7 g/mol
Molecular Formula C35H39F3N4O6
Exact Mass 668.282169 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 80GvLDwK9o3
Name #6;Gamma-isomer;(4Z,9Z,15Z)-7,12-diethyl-1,19,23,24-tetrahydro-3,13,17-trimethyl-1,19-dioxo-8-(trifluoromethyl)-21H-bilin-2,18-dipropionic-acid-dimethylester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 668.282169475 u
Formula C35H39F3N4O6
InChI InChI=1S/C35H39F3N4O6/c1-8-20-17(3)24(14-25-18(4)22(33(45)41-25)10-12-30(43)47-6)39-27(20)16-29-32(35(36,37)38)21(9-2)28(40-29)15-26-19(5)23(34(46)42-26)11-13-31(44)48-7/h14-16,39H,8-13H2,1-7H3,(H,41,45)(H,42,46)/b25-14-,26-15-,29-16-
InChIKey GGUXIOXHLSDHSL-WTXLEIRESA-N
Molecular Weight 668.714 g/mol
SMILES C1(=O)C(=C(C)\C(N1)=C\C1=C(C(=C(N1)\C=C\1C(=C(C(=N1)\C=C\1C(=C(C(=O)N1)CCC(=O)OC)C)CC)C(F)(F)F)CC)C)CCC(=O)OC