Neobiliverdine Ixdelta Dimethyl Ester
[CAS# 117032-45-8]

Identification

• Name: Neobiliverdine Ixdelta Dimethyl Ester
• Synonyms: Nixdde; Dipyrrolo(1,2-A:2',3'-D)Azepine-8-Propanoic Acid, 7-((1,5-Dihydro-3-(3-Methoxy-3-Oxopropyl)-4-Methyl-5-Oxo-2H-Pyrrol-2-Ylidene)Methyl)-2-((3-Ethenyl-1,5-Dihydro-4-Methyl-5-Oxo-2H-Pyrrol-2-Ylidene)Methyl)-4,5-Dihydro-3,9-Dimethyl-, Methyl Ester, (Z,Z)-; Methyl (Z,Z)-7-((1,5-Dihydro-3-(3-Methoxy-3-Oxopropyl)-4-Methyl-5-Oxo-2H-Pyrrol-2-Ylidene)Methyl)-2-((3-Ethenyl-1,5-Dihydro-4-Methyl-5-Oxo-2H-Pyrrol-2-Ylidene)Methyl)-4,5-Dihydro-3,9-Dimethyldipyrrolo(1,2-A:2',3'-D)Azepine-8-Propanoate
• Molecular Formula: C₃₅H₃₈N₄O₆
• Molecular Weight: 610.71
• CAS Registry Number: 117032-45-8
• SMILES: C(C\2=C(C1=CC4=C(CCN1C2=C/C3=NC(=O)C(=C3CCC(OC)=O)C)C(=C([NH]4)\C=C\5NC(=O)C(=C5C=C)C)C)C)CC(OC)=O
• InChI: 1S/C35H38N4O6/c1-8-22-20(4)34(42)37-27(22)15-26-18(2)24-13-14-39-30(16-28(24)36-26)19(3)25(10-12-33(41)45-7)31(39)17-29-23(9-11-32(40)44-6)21(5)35(43)38-29/h8,15-17,36H,1,9-14H2,2-7H3,(H,37,42)/b27-15-,31-17+
• InChIKey: CNVMXBANPYIJHF-ZISNHAQESA-N

Properties

• Density: 1.291g/cm³ (Cal.)