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1H-Pyrrole-3-propanoic acid, 5-[(3-ethenyl-1,5-dihydro-4-methyl-5-oxo-2H-pyrrol-2-ylidene)methyl]-2-[[5-(methoxycarbonyl)-3-(3-methoxy-3-oxopropyl)-4-methyl-2H-pyrrol-2-ylidene]methyl]-4-methyl-, methyl ester, (Z,Z)-
SpectraBase Compound ID 2szMNVqNyog
InChI InChI=1S/C29H33N3O7/c1-8-18-17(4)28(35)32-22(18)13-21-15(2)19(9-11-25(33)37-5)23(30-21)14-24-20(10-12-26(34)38-6)16(3)27(31-24)29(36)39-7/h8,13-14,30H,1,9-12H2,2-7H3,(H,32,35)/b22-13-,24-14-
InChIKey LIMQVCXEHJFLHL-YXDRJAMLSA-N
Mol Weight 535.6 g/mol
Molecular Formula C29H33N3O7
Exact Mass 535.23185 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1ecWDc2HtwG
Name 1H-Pyrrole-3-propanoic acid, 5-[(3-ethenyl-1,5-dihydro-4-methyl-5-oxo-2H-pyrrol-2-ylidene)methyl]-2-[[5-(methoxycarbonyl)-3-(3-methoxy-3-oxopropyl)-4-methyl-2H-pyrrol-2-ylidene]methyl]-4-methyl-, methyl ester, (Z,Z)-
CAS Registry Number 113469-14-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H33N3O7
InChI InChI=1S/C29H33N3O7/c1-8-18-17(4)28(35)32-22(18)13-21-15(2)19(9-11-25(33)37-5)23(30-21)14-24-20(10-12-26(34)38-6)16(3)27(31-24)29(36)39-7/h8,13-14,30H,1,9-12H2,2-7H3,(H,32,35)/b22-13-,24-14-
InChIKey LIMQVCXEHJFLHL-YXDRJAMLSA-N
Molecular Weight 535.597 g/mol
SMILES [nH]1c(c(c(c1\C=C/1NC(C(=C1C=C)C)=O)C)CCC(=O)OC)\C=C\1N=C(C(C)=C1CCC(=O)OC)C(=O)OC
SPLASH splash10-002r-7001690000-ce587ad28ed25b9f0ae5
Source of Spectrum AJ-60-4048-0
Synonyms 14-Methoxycarbonyl-8,12-bis[2-(methoxycarbonyl)ethyl]-2,7,13-trimethyl-3-vinyltripyrrin-1-one Methyl (2Z)-3-(3-methoxy-3-oxopropyl)-2-({3-(3-methoxy-3-oxopropyl)-4-methyl-5-[(Z)-(4-methyl-5-oxo-3-vinyl-1,5-dihydro-2H-pyrrol-2-ylidene)methyl]-1H-pyrrol-2-yl}methylene)-4-methyl-2H-pyrrole-5-carboxylate
Wiley ID 1403950