Chem
J-GLOBAL ID：200907012656735765   Nikkaji number：J60.126H

31,32,181,182-Tetradehydromesobilirubin

31,32,181,182-テトラデヒドロメソビリルビン
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C33H36N4O6
Molecular formula furigana： C33-H36-N4-O6
Molecular weight： 584.673
InChI： InChI=1S/C33H36N4O6/c1-7-20-19(6)32(42)37-27(20)14-25-18(5)23(10-12-31(40)41)29(35-25)15-28-22(9-11-30(38)39)17(4)24(34-28)13-26-16(3)21(8-2)33(43)36-26/h7-8,13-14,34-35H,1-2,9-12,15H2,3-6H3,(H,36,43)(H,37,42)(H,38,39)(H,40,41)
InChI key： BPYKTIZUTYGOLE-UHFFFAOYSA-N
SMILES： CC1=C(C=C)C(=Cc2[nH]c(Cc3[nH]c(C=C4NC(=O)C(=C4C)C=C)c(C)c3CCC(=O)O)c(CCC(=O)O)c2C)NC1=O
Systematic name  (7)：
  • 3-[4-メチル-5-[[3-エテニル-4-メチル-5-オキソ-1H-ピロール-2(5H)-イリデン]メチル]-2-[[4-メチル-5-[[4-エテニル-3-メチル-5-オキソ-1H-ピロール-2(5H)-イリデン]メチル]-3-(2-カルボキシエチル)-1H-ピロール-2-イル]メチル]-1H-ピロール-3-イル]プロパン酸
  • 31,32,181,182-テトラデヒドロメソビリルビン
  • 2,17-ジエテニル-1,10,19,22,23,24-ヘキサヒドロ-3,7,13,18-テトラメチル-1,19-ジオキソ-21H-ビリン-8,12-ジプロパン酸
  • 2,17-ジエテニル-1,10,19,22,23,24-ヘキサヒドロ-3,7,13,18-テトラメチル-1,19-ジオキソ-21H-ビリン-8,12-ジプロピオン酸
  • 5-(3-ビニル-4-メチル-5-オキソ-2,5-ジヒドロ-1H-ピロール-2-イリデンメチル)-5′-(4-ビニル-3-メチル-5-オキソ-2,5-ジヒドロ-1H-ピロール-2-イリデンメチル)-[2,2′-メチレンビス(4-メチル-1H-ピロール-3-プロピオン酸)]
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Other name (5)：
  • 2,17-Diethenyl-1,10,19,22,23,24-hexahydro-3,7,13,18-tetramethyl-1,19-dioxo-21H-biline-8,12-dipropanoic acid
  • 2,17-Diethenyl-1,10,19,22,23,24-hexahydro-3,7,13,18-tetramethyl-1,19-dioxo-21H-biline-8,12-dipropionic acid
  • 3-[4-Methyl-5-[[3-ethenyl-4-methyl-5-oxo-1H-pyrrole-2(5H)-ylidene]methyl]-2-[[4-methyl-5-[[4-ethenyl-3-methyl-5-oxo-1H-pyrrole-2(5H)-ylidene]methyl]-3-(2-carboxyethyl)-1H-pyrrole-2-yl]methyl]-1H-pyrrole-3-yl]propanoic acid
  • 31,32,181,182-Tetradehydromesobilirubin
  • 5-(3-Vinyl-4-methyl-5-oxo-2,5-dihydro-1H-pyrrole-2-ylidenemethyl)-5′-(4-vinyl-3-methyl-5-oxo-2,5-dihydro-1H-pyrrole-2-ylidenemethyl)-[2,2′-methylenebis(4-methyl-1H-pyrrole-3-propionic acid)]
Regulation number (2)：
  • DU3038000
  • EINECS2112397
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