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1H-Pyrrole-3-propanoic acid, 2-[[5-[(1,1-dimethylethoxy)carbonyl]-3-(2-methoxy-2-oxoethyl)-4-(3-methoxy-3-oxopropyl)-1H-pyrrol-2-yl]methylene]-2,5-dihydro-4-(2-methoxy-2-oxoethyl)-5-oxo-, methyl ester, (Z)-
SpectraBase Compound ID iFdE0NOjSG
InChI InChI=1S/C28H36N2O11/c1-28(2,3)41-27(36)25-16(9-11-22(32)38-5)17(12-23(33)39-6)20(29-25)14-19-15(8-10-21(31)37-4)18(26(35)30-19)13-24(34)40-7/h14,29H,8-13H2,1-7H3,(H,30,35)/b19-14-
InChIKey AJYWJURNJLVMHO-RGEXLXHISA-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 Btx97b7YTUM
Name 1H-Pyrrole-3-propanoic acid, 2-[[5-[(1,1-dimethylethoxy)carbonyl]-3-(2-methoxy-2-oxoethyl)-4-(3-methoxy-3-oxopropyl)-1H-pyrrol-2-yl]methylene]-2,5-dihydro-4-(2-methoxy-2-oxoethyl)-5-oxo-, methyl ester, (Z)-
Alternate Name(s) t-Butyl 1,10-dihydro-3,8-bis(2-methoxycarbonylethyl)-2,7-bis(methoxycarbonylmethyl)-1-oxodipyrrin-9-carboxylate tert-Butyl 4-(2-methoxy-2-oxoethyl)-5-{(Z)-[4-(2-methoxy-2-oxoethyl)-3-(3-methoxy-3-oxopropyl)-5-oxo-1,5-dihydro-2H-pyrrol-2-ylidene]methyl}-3-(3-methoxy-3-oxopropyl)-1H-pyrrole-2-carboxylate
CAS Registry Number 89198-49-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H36N2O11
InChI InChI=1S/C28H36N2O11/c1-28(2,3)41-27(36)25-16(9-11-22(32)38-5)17(12-23(33)39-6)20(29-25)14-19-15(8-10-21(31)37-4)18(26(35)30-19)13-24(34)40-7/h14,29H,8-13H2,1-7H3,(H,30,35)/b19-14-
InChIKey AJYWJURNJLVMHO-RGEXLXHISA-N
Molecular Weight 576.599 g/mol
SMILES [nH]1c(\C=C/2C(=C(C(N2)=O)CC(=O)OC)CCC(=O)OC)c(c(CCC(=O)OC)c1C(OC(C)(C)C)=O)CC(=O)OC
SPLASH splash10-0fmr-0000970000-194a06ee15b605c64da5
Source of Spectrum KC-1988-1564-13
Wiley ID 1408170