Biliverdin XIII beta
[CAS# 70695-22-6]

Identification

• Name: Biliverdin XIII beta
• Synonyms: 3-[2-[(Z)-[3-(2-Carboxyethyl)-4-Methyl-5-Oxo-Pyrrol-2-Ylidene]Methyl]-4-Methyl-5-[(E)-[(5E)-4-Methyl-5-[(3-Methyl-5-Oxo-4-Vinyl-Pyrrol-2-Yl)Methylene]-3-Vinyl-Pyrrol-2-Ylidene]Methyl]-1H-Pyrrol-3-Yl]Propanoic Acid; 3-[2-[(Z)-[3-(2-Carboxyethyl)-4-Methyl-5-Oxo-2-Pyrrolylidene]Methyl]-4-Methyl-5-[(E)-[(5E)-4-Methyl-5-[(3-Methyl-5-Oxo-4-Vinyl-2-Pyrrolyl)Methylene]-3-Vinyl-2-Pyrrolylidene]Methyl]-1H-Pyrrol-3-Yl]Propanoic Acid; 3-[2-[(Z)-[3-(2-Carboxyethyl)-5-Keto-4-Methyl-3-Pyrrolin-2-Ylidene]Methyl]-5-[(E)-[(5E)-5-[(5-Keto-3-Methyl-4-Vinyl-Pyrrol-2-Yl)Methylene]-4-Methyl-3-Vinyl-3-Pyrrolin-2-Ylidene]Methyl]-4-Methyl-1H-Pyrrol-3-Yl]Propionic Acid
• Molecular Formula: C₃₃H₃₄N₄O₆
• Molecular Weight: 582.65
• CAS Registry Number: 70695-22-6
• SMILES: C(C1=C([NH]C(=C1C)\C=C/2NC(/C(=C2C=C)C)=C/C3=NC(=O)C(=C3C)C=C)/C=C/4NC(=O)C(=C4CCC(O)=O)C)CC(O)=O
• InChI: 1S/C33H34N4O6/c1-7-20-16(3)24(13-26-17(4)21(8-2)33(43)36-26)34-27(20)14-25-18(5)22(9-11-30(38)39)28(35-25)15-29-23(10-12-31(40)41)19(6)32(42)37-29/h7-8,13-15,34-35H,1-2,9-12H2,3-6H3,(H,37,42)(H,38,39)(H,40,41)/b24-13+,27-14+,29-15-
• InChIKey: YIALZBLMEJCLRF-HKRFAYMPSA-N

Properties

• Density: 1.306g/cm³ (Cal.)