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21H-Biline-3-propanoic acid, 7,13,18-triethyl-1,19,22,24-tetrahydro-2,8,12,17-tetramethyl-1,19-dio xo-, methyl ester
SpectraBase Compound ID EhWJbIpgZYl
InChI InChI=1S/C33H40N4O4/c1-9-21-17(4)25(34-28(21)15-27-19(6)23(11-3)33(40)36-27)14-26-18(5)22(10-2)29(35-26)16-30-24(12-13-31(38)41-8)20(7)32(39)37-30/h14-16,35H,9-13H2,1-8H3,(H,36,40)(H,37,39)/b25-14+,27-15+,30-16-
InChIKey PVJPMJDMXGSKQP-HOXPVKAQSA-N
Mol Weight 556.7 g/mol
Molecular Formula C33H40N4O4
Exact Mass 556.304956 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID D8VgTi8rglc
Name 21H-Biline-3-propanoic acid, 7,13,18-triethyl-1,19,22,24-tetrahydro-2,8,12,17-tetramethyl-1,19-dio xo-, methyl ester
Alternate Name(s) 7,13,18-Triethyl-3-(2-methoxycarbonylethyl)-2,8,12,17-tetramethyl-1,19-bilindione Methyl 3-((2Z)-2-{[3-ethyl-5-((E)-{4-ethyl-5-[(E)-(4-ethyl-3-methyl-5-oxo-1,5-dihydro-2H-pyrrol-2-ylidene)methyl]-3-methyl-2H-pyrrol-2-ylidene}methyl)-4-methyl-1H-pyrrol-2-yl]methylene}-4-methyl-5-oxo-2,5-dihydro-1H-pyrrol-3-yl)propanoate
CAS Registry Number 87377-62-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C33H40N4O4
InChI InChI=1S/C33H40N4O4/c1-9-21-17(4)25(34-28(21)15-27-19(6)23(11-3)33(40)36-27)14-26-18(5)22(10-2)29(35-26)16-30-24(12-13-31(38)41-8)20(7)32(39)37-30/h14-16,35H,9-13H2,1-8H3,(H,36,40)(H,37,39)/b25-14+,27-15+,30-16-
InChIKey PVJPMJDMXGSKQP-HOXPVKAQSA-N
Molecular Weight 556.707 g/mol
SMILES N1C(C(=C(\C1=C\C1=N\C(=C\c2c(c(c(\C=C/3C(=C(C)C(N3)=O)CCC(=O)OC)[nH]2)CC)C)C(=C1CC)C)C)CC)=O
SPLASH splash10-0a4i-0020090000-12ac05595f1a24a58eae
Source of Spectrum F-39-1846-0
Wiley ID 1406414