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1H-Pyrrole-3-butanoic acid, 2-carboxy-5-[[5-[(1,1-dimethylethoxy)carbonyl]-3-(3-methoxy-3-oxopropyl)-4-methyl-1H-pyrrol-2-yl]methyl]-4-methyl-, .alpha.-methyl ester

View entire compound with spectra: 1 MS (GC)

1H-Pyrrole-3-butanoic acid, 2-carboxy-5-[[5-[(1,1-dimethylethoxy)carbonyl]-3-(3-methoxy-3-oxopropyl)-4-methyl-1H-pyrrol-2-yl]methyl]-4-methyl-, .alpha.-methyl ester
SpectraBase Compound ID 86HT5guHyf7
InChI InChI=1S/C26H36N2O8/c1-14-17(9-8-10-20(29)34-6)23(24(31)32)27-18(14)13-19-16(11-12-21(30)35-7)15(2)22(28-19)25(33)36-26(3,4)5/h27-28H,8-13H2,1-7H3,(H,31,32)
InChIKey ARGTWNHDFMDFPW-UHFFFAOYSA-N
Mol Weight 504.6 g/mol
Molecular Formula C26H36N2O8
Exact Mass 504.247166 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5Y6VSEGcTne
Name 1H-Pyrrole-3-butanoic acid, 2-carboxy-5-[[5-[(1,1-dimethylethoxy)carbonyl]-3-(3-methoxy-3-oxopropyl)-4-methyl-1H-pyrrol-2-yl]methyl]-4-methyl-, .alpha.-methyl ester
CAS Registry Number 99602-74-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H36N2O8
InChI InChI=1S/C26H36N2O8/c1-14-17(9-8-10-20(29)34-6)23(24(31)32)27-18(14)13-19-16(11-12-21(30)35-7)15(2)22(28-19)25(33)36-26(3,4)5/h27-28H,8-13H2,1-7H3,(H,31,32)
InChIKey ARGTWNHDFMDFPW-UHFFFAOYSA-N
Molecular Weight 504.580 g/mol
SMILES [nH]1c(c(c(c1Cc1c(c(c(C(=O)O)[nH]1)CCCC(=O)OC)C)CCC(=O)OC)C)C(OC(C)(C)C)=O
SPLASH splash10-08fr-0000900000-b0ada293971ed887b984
Source of Spectrum KC-1985-1706-0
Synonyms 5-{[5-(tert-butoxycarbonyl)-3-(3-methoxy-3-oxopropyl)-4-methyl-1H-pyrrol-2-yl]methyl}-3-(4-methoxy-4-oxobutyl)-4-methyl-1H-pyrrole-2-carboxylic acid t-Butyl 5-hydroxycarbonyl-3(2-methoxycarbonylethyl)-4'-(3-methoxycarbonylpropyl)-3',4-dimethyl-2,2'-methylenedipyrrole-5-carboxylate
Wiley ID 1399521