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4-Acetyl-5-[[5-[(3-acetyl-5-carbethoxy-4-methyl-1H-pyrrol-2-yl)methyl]-1-carbomethoxy-pyrrol-2-yl]methyl]-3-methyl-1H-pyrrole-2-carboxylic acid ethyl ester
SpectraBase Compound ID 48UDXl3Oarr
InChI InChI=1S/C28H33N3O8/c1-8-38-26(34)24-14(3)22(16(5)32)20(29-24)12-18-10-11-19(31(18)28(36)37-7)13-21-23(17(6)33)15(4)25(30-21)27(35)39-9-2/h10-11,29-30H,8-9,12-13H2,1-7H3
InChIKey BLTXZZOISUWEHI-UHFFFAOYSA-N
Mol Weight 539.6 g/mol
Molecular Formula C28H33N3O8
Exact Mass 539.226765 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LPVcn38aDDp
Name 4-Acetyl-5-[[5-[(3-acetyl-5-carbethoxy-4-methyl-1H-pyrrol-2-yl)methyl]-1-carbomethoxy-pyrrol-2-yl]methyl]-3-methyl-1H-pyrrole-2-carboxylic acid ethyl ester
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Formula C28H33N3O8
InChI InChI=1S/C28H33N3O8/c1-8-38-26(34)24-14(3)22(16(5)32)20(29-24)12-18-10-11-19(31(18)28(36)37-7)13-21-23(17(6)33)15(4)25(30-21)27(35)39-9-2/h10-11,29-30H,8-9,12-13H2,1-7H3
InChIKey BLTXZZOISUWEHI-UHFFFAOYSA-N
Molecular Weight 539.585 g/mol
SMILES [nH]1c(c(c(c1Cc1[n](c(Cc2c(c(c([nH]2)C(=O)OCC)C)C(=O)C)cc1)C(=O)OC)C(=O)C)C)C(=O)OCC
SPLASH splash10-0c10-3393140000-ca25e2a08746aa0d305b
Source of Spectrum KC-0-1793-37
Synonyms 4-Acetyl-5-[[5-[(3-acetyl-5-ethoxycarbonyl-4-methyl-1H-pyrrol-2-yl)methyl]-1-methoxycarbonyl-2-pyrrolyl]methyl]-3-methyl-1H-pyrrole-2-carboxylic acid ethyl ester Ethyl 4-acetyl-5-[[5-[(3-acetyl-5-ethoxycarbonyl-4-methyl-1H-pyrrol-2-yl)methyl]-1-methoxycarbonyl-pyrrol-2-yl]methyl]-3-methyl-1H-pyrrole-2-carboxylate Ethyl 4-ethanoyl-5-[[5-[(3-ethanoyl-5-ethoxycarbonyl-4-methyl-1H-pyrrol-2-yl)methyl]-1-methoxycarbonyl-pyrrol-2-yl]methyl]-3-methyl-1H-pyrrole-2-carboxylate
Wiley ID 786126