(Z)-2-((4-(2-Carboxyethyl)-1,5-Dihydro-3-Methyl-5-Oxo-2H-Pyrrol-2-Ylidene)Methyl)-4,5,8,10a-Tetrahydro-9-Hydroxy-3,10a,13-Trimethyl-Pyrrolo(2,3-d)Pyrrolo(2'',3'':4',5')Cyclohepta(1',2':4,5)Pyrrolo(1,2-a)Azepine-10-Propanoic Acid
[CAS# 39290-30-7]

Identification

• Name: (Z)-2-((4-(2-Carboxyethyl)-1,5-Dihydro-3-Methyl-5-Oxo-2H-Pyrrol-2-Ylidene)Methyl)-4,5,8,10a-Tetrahydro-9-Hydroxy-3,10a,13-Trimethyl-Pyrrolo(2,3-d)Pyrrolo(2'',3'':4',5')Cyclohepta(1',2':4,5)Pyrrolo(1,2-a)Azepine-10-Propanoic Acid
• Synonyms: Sarpedobilin
• Molecular Formula: C₃₃H₃₄N₄O₆
• Molecular Weight: 582.65
• CAS Registry Number: 39290-30-7
• SMILES: C(C5=C(O)NC6=CC1=C(C(=C3[N]1CCC2=C(\C(NC2=C3)=C/C4=NC(=O)C(=C4C)CCC(O)=O)C)C)C=CC56C)CC(O)=O
• InChI: 1S/C33H34N4O6/c1-16-19-10-12-37-26(14-25(19)34-23(16)13-24-17(2)21(31(42)35-24)5-7-29(38)39)18(3)20-9-11-33(4)22(6-8-30(40)41)32(43)36-28(33)15-27(20)37/h9,11,13-15,34,36,43H,5-8,10,12H2,1-4H3,(H,38,39)(H,40,41)/b23-13+
• InChIKey: IUEVZOONCAVTRO-YDZHTSKRSA-N

Properties

• Density: 1.449g/cm³ (Cal.)
• Boiling point: 944.925°C at 760 mmHg (Cal.)
• Flash point: 525.271°C (Cal.)