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3-[5-formyl-2-[[5-formyl-3-(3-keto-3-methoxy-propyl)-4-methyl-1H-pyrrol-2-yl]methyl]-4-methyl-1H-pyrrol-3-yl]propionic acid methyl ester

View entire compound with spectra: 1 NMR, and 1 MS (GC)

3-[5-formyl-2-[[5-formyl-3-(3-keto-3-methoxy-propyl)-4-methyl-1H-pyrrol-2-yl]methyl]-4-methyl-1H-pyrrol-3-yl]propionic acid methyl ester
SpectraBase Compound ID I9M4CRCSBrW
InChI InChI=1S/C21H26N2O6/c1-12-14(5-7-20(26)28-3)16(22-18(12)10-24)9-17-15(6-8-21(27)29-4)13(2)19(11-25)23-17/h10-11,22-23H,5-9H2,1-4H3
InChIKey IRPJSTPXJQDLMZ-UHFFFAOYSA-N
Mol Weight 402.45 g/mol
Molecular Formula C21H26N2O6
Exact Mass 402.179087 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID H4jlVFZfciB
Name 3-[5-formyl-2-[[5-formyl-3-(3-keto-3-methoxy-propyl)-4-methyl-1H-pyrrol-2-yl]methyl]-4-methyl-1H-pyrrol-3-yl]propionic acid methyl ester
CAS Registry Number 4792-10-3
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H26N2O6
InChI InChI=1S/C21H26N2O6/c1-12-14(5-7-20(26)28-3)16(22-18(12)10-24)9-17-15(6-8-21(27)29-4)13(2)19(11-25)23-17/h10-11,22-23H,5-9H2,1-4H3
InChIKey IRPJSTPXJQDLMZ-UHFFFAOYSA-N
Molecular Weight 402.447 g/mol
SMILES [nH]1c(c(c(c1Cc1c(c(C)c([nH]1)C=O)CCC(=O)OC)CCC(=O)OC)C)C=O
SPLASH splash10-0udi-0004900000-c9dc0333c0726f731759
Source of Spectrum KC-1985-1705-9
Synonyms 3-[5-formyl-2-[[5-formyl-3-(3-methoxy-3-oxopropyl)-4-methyl-1H-pyrrol-2-yl]methyl]-4-methyl-1H-pyrrol-3-yl]propanoic acid methyl ester Methyl 3-[5-formyl-2-[[5-formyl-3-(3-methoxy-3-oxo-propyl)-4-methyl-1H-pyrrol-2-yl]methyl]-4-methyl-1H-pyrrol-3-yl]propanoate Methyl 3-[5-methanoyl-2-[[5-methanoyl-3-(3-methoxy-3-oxidanylidene-propyl)-4-methyl-1H-pyrrol-2-yl]methyl]-4-methyl-1H-pyrrol-3-yl]propanoate
Wiley ID 1370311