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21H-Biline-8,12-dipropanoic acid, 18-ethenyl-3-ethylidene-1,2,3,15,16,19,23,24-octahydro-2,7,13,17-tetramethyl-1,19-dioxo-, dimethyl ester, (R*,R*)-(.+-.)-

View entire compound with spectra: 1 NMR, and 1 MS (GC)

21H-Biline-8,12-dipropanoic acid, 18-ethenyl-3-ethylidene-1,2,3,15,16,19,23,24-octahydro-2,7,13,17-tetramethyl-1,19-dioxo-, dimethyl ester, (R*,R*)-(.+-.)-
SpectraBase Compound ID 1KcFqZrEb3u
InChI InChI=1S/C35H42N4O6/c1-9-22-21(6)34(42)39-29(22)16-27-20(5)25(12-14-33(41)45-8)31(37-27)17-30-24(11-13-32(40)44-7)19(4)26(36-30)15-28-18(3)23(10-2)35(43)38-28/h9-10,16-17,21,28,36H,2,11-15H2,1,3-8H3,(H,38,43)(H,39,42)/b22-9+,29-16-,31-17-
InChIKey OTDUUFIKLRDUFS-AYGACVOZSA-N
Mol Weight 614.7 g/mol
Molecular Formula C35H42N4O6
Exact Mass 614.310435 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IDCYwA9HHEp
Name 21H-Biline-8,12-dipropanoic acid, 18-ethenyl-3-ethylidene-1,2,3,15,16,19,23,24-octahydro-2,7,13,17-tetramethyl-1,19-dioxo-, dimethyl ester, (R*,R*)-(.+-.)-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 614.310435082 u
Formula C35H42N4O6
InChI InChI=1S/C35H42N4O6/c1-9-22-21(6)34(42)39-29(22)16-27-20(5)25(12-14-33(41)45-8)31(37-27)17-30-24(11-13-32(40)44-7)19(4)26(36-30)15-28-18(3)23(10-2)35(43)38-28/h9-10,16-17,21,28,36H,2,11-15H2,1,3-8H3,(H,38,43)(H,39,42)/b22-9+,29-16-,31-17-
InChIKey OTDUUFIKLRDUFS-AYGACVOZSA-N
Molecular Weight 614.743 g/mol
SMILES C1(=N\C(C(=C1C)CCC(=O)OC)=C\C1=C(C(C)=C(N1)CC1NC(=O)C(=C1C)C=C)CCC(=O)OC)\C=C\1NC(=O)C(\C1=C\C)C