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1H-Pyrrole-3-propanoic acid, 5-[[5-[(1,1-dimethylethoxy)carbonyl]-4-(2-methoxy-2-oxoethyl)-3-(3-methoxy-3-oxopropyl)-1H-pyrrol-2-yl]methylene]-2,5-dihydro-4-(2-methoxy-2-oxoethyl)-2-oxo-, methyl ester, (Z)-
SpectraBase Compound ID AmsIfWsUJ4R
InChI InChI=1S/C28H36N2O11/c1-28(2,3)41-27(36)25-18(13-24(34)40-7)15(8-10-21(31)37-4)19(29-25)14-20-17(12-23(33)39-6)16(26(35)30-20)9-11-22(32)38-5/h14,29H,8-13H2,1-7H3,(H,30,35)/b20-14-
InChIKey JRMVPYRYPFOHAB-ZHZULCJRSA-N
Mol Weight 576.6 g/mol
Molecular Formula C28H36N2O11
Exact Mass 576.23191 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID L1cYr0j75SH
Name 1H-Pyrrole-3-propanoic acid, 5-[[5-[(1,1-dimethylethoxy)carbonyl]-4-(2-methoxy-2-oxoethyl)-3-(3-methoxy-3-oxopropyl)-1H-pyrrol-2-yl]methylene]-2,5-dihydro-4-(2-methoxy-2-oxoethyl)-2-oxo-, methyl ester, (Z)-
CAS Registry Number 118826-24-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H36N2O11
InChI InChI=1S/C28H36N2O11/c1-28(2,3)41-27(36)25-18(13-24(34)40-7)15(8-10-21(31)37-4)19(29-25)14-20-17(12-23(33)39-6)16(26(35)30-20)9-11-22(32)38-5/h14,29H,8-13H2,1-7H3,(H,30,35)/b20-14-
InChIKey JRMVPYRYPFOHAB-ZHZULCJRSA-N
Molecular Weight 576.599 g/mol
SMILES [nH]1c(c(c(c1\C=C/1C(=C(C(N1)=O)CCC(=O)OC)CC(=O)OC)CCC(=O)OC)CC(=O)OC)C(OC(C)(C)C)=O
SPLASH splash10-00di-0000290000-ba2de26e8c9fee5f6521
Source of Spectrum KC-1988-1563-21
Synonyms t-Butyl 1,10-dihydro-2,7-bis(2-methoxycarbonylethyl)-3,8-bis(methoxycarbonylmethyl)-1-oxodipyrrin-9-carboxylate tert-Butyl 3-(2-methoxy-2-oxoethyl)-5-{(Z)-[3-(2-methoxy-2-oxoethyl)-4-(3-methoxy-3-oxopropyl)-5-oxo-1,5-dihydro-2H-pyrrol-2-ylidene]methyl}-4-(3-methoxy-3-oxopropyl)-1H-pyrrole-2-carboxylate
Wiley ID 1408169