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21H-Biline-8,12-dipropanoic acid, 2,18-diethyl-1,4,5,19,23,24-hexahydro-3,7,13,17-tetramethyl-1,19-dioxo-, dimethyl ester, (4R)-
SpectraBase Compound ID 8OuVmBldlYP
InChI InChI=1S/C35H44N4O6/c1-9-22-18(3)28(38-34(22)42)15-26-20(5)24(11-13-32(40)44-7)30(36-26)17-31-25(12-14-33(41)45-8)21(6)27(37-31)16-29-19(4)23(10-2)35(43)39-29/h15,17,29,36H,9-14,16H2,1-8H3,(H,38,42)(H,39,43)/b28-15-,31-17-/t29-/m1/s1
InChIKey ZAMONEOEGLHFAO-XLHKGJAVSA-N
Mol Weight 616.8 g/mol
Molecular Formula C35H44N4O6
Exact Mass 616.326085 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B2drhZpOKgq
Name 21H-Biline-8,12-dipropanoic acid, 2,18-diethyl-1,4,5,19,23,24-hexahydro-3,7,13,17-tetramethyl-1,19-dioxo-, dimethyl ester, (4R)-
CAS Registry Number 29789-75-1
Comments Structure changed after expert review
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C35H44N4O6
InChI InChI=1S/C35H44N4O6/c1-9-22-18(3)28(38-34(22)42)15-26-20(5)24(11-13-32(40)44-7)30(36-26)17-31-25(12-14-33(41)45-8)21(6)27(37-31)16-29-19(4)23(10-2)35(43)39-29/h15,17,29,36H,9-14,16H2,1-8H3,(H,38,42)(H,39,43)/b28-15-,31-17-/t29-/m1/s1
InChIKey ZAMONEOEGLHFAO-XLHKGJAVSA-N
Molecular Weight 616.759 g/mol
SMILES N1C(C(=C([C@]1(CC=1C(=C(\C(=C\c2c(c(c(\C=C/3C(=C(C(=O)N3)CC)C)[nH]2)C)CCC(OC)=O)N1)CCC(OC)=O)C)[H])C)CC)=O
SPLASH splash10-0006-0002901000-2e8fe6c941276ab55e91
Source of Spectrum W5-0-0-0
Synonyms Methyl 3-(5-[(Z)-(4-ethyl-3-methyl-5-oxo-1,5-dihydro-2H-pyrrol-2-ylidene)methyl]-2-((Z)-[5-[(4-ethyl-3-methyl-5-oxo-2,5-dihydro-1H-pyrrol-2-yl)methyl]-3-(3-methoxy-3-oxopropyl)-4-methyl-2H-pyrrol-2-yl
Wiley ID 1411329