3-[2-[(Z)-[3-(2-Carboxyethyl)-5-[(Z)-(4-Ethyl-3-Methyl-5-Oxo-Pyrrol-2-Ylidene)Methyl]-4-Methyl-Pyrrol-2-Ylidene]Methyl]-5-[(Z)-(3-Ethyl-4-Methyl-5-Oxo-Pyrrol-2-Ylidene)Methyl]-4-Methyl-1H-Pyrrol-3-Yl]Propanoic Acid
[CAS# 29790-16-7]

Identification

• Name: 3-[2-[(Z)-[3-(2-Carboxyethyl)-5-[(Z)-(4-Ethyl-3-Methyl-5-Oxo-Pyrrol-2-Ylidene)Methyl]-4-Methyl-Pyrrol-2-Ylidene]Methyl]-5-[(Z)-(3-Ethyl-4-Methyl-5-Oxo-Pyrrol-2-Ylidene)Methyl]-4-Methyl-1H-Pyrrol-3-Yl]Propanoic Acid
• Synonyms: mesobiliverdin
• Molecular Formula: C₃₃H₃₈N₄O₆
• Molecular Weight: 586.68
• CAS Registry Number: 29790-16-7
• SMILES: OC(=O)CCc4c(C)c(/C=C/1\NC(=O)C(\C)=C\1\CC)nc4/C=C3\N=C(\C=C\2/NC(=O)C(/CC)=C/2/C)/C(/C)=C3/CCC(O)=O
• InChI: 1S/C33H38N4O6/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/h13-15,35H,7-12H2,1-6H3,(H,36,43)(H,37,42)(H,38,39)(H,40,41)/b26-13-,27-14-,28-15-
• InChIKey: CXQHEXWJGZEPFP-BBROENKCSA-N

Properties

• Density: 1.315g/cm³ (Cal.)
• Boiling point: 889.139°C at 760 mmHg (Cal.)
• Flash point: 491.534°C (Cal.)
• Refractive index: 1.639 (Cal.)