3-[5-[(Z)-(4-Ethenyl-3-Methyl-5-Oxopyrrol-2-Ylidene)Methyl]-2-[[5-[(E)-(3-Ethenyl-4-Methyl-5-Oxopyrrol-2-Ylidene)Methyl]-4-Methyl-3-[3-Oxo-3-[[(2R,3S,4S,5R,6R)-3,4,5,6-Tetrahydroxyoxan-2-Yl]Methoxy]Propyl]-1H-Pyrrol-2-Yl]Methyl]-4-Methyl-1H-Pyrrol-3-Yl]Propanoic Acid
[CAS# 36570-68-0]

Identification

• Name: 3-[5-[(Z)-(4-Ethenyl-3-Methyl-5-Oxopyrrol-2-Ylidene)Methyl]-2-[[5-[(E)-(3-Ethenyl-4-Methyl-5-Oxopyrrol-2-Ylidene)Methyl]-4-Methyl-3-[3-Oxo-3-[[(2R,3S,4S,5R,6R)-3,4,5,6-Tetrahydroxyoxan-2-Yl]Methoxy]Propyl]-1H-Pyrrol-2-Yl]Methyl]-4-Methyl-1H-Pyrrol-3-Yl]Propanoic Acid
• Synonyms: 3-[4-Methyl-2-[[4-Methyl-5-[(E)-(4-Methyl-5-Oxo-3-Vinyl-Pyrrol-2-Ylidene)Methyl]-3-[3-Oxo-3-[[(2R,3S,4S,5R,6R)-3,4,5,6-Tetrahydroxytetrahydropyran-2-Yl]Methoxy]Propyl]-1H-Pyrrol-2-Yl]Methyl]-5-[(Z)-(3-Methyl-5-Oxo-4-Vinyl-Pyrrol-2-Ylidene)Methyl]-1H-Pyrrol-3-Yl]Propanoic Acid; 3-[4-Methyl-2-[[4-Methyl-5-[(E)-(4-Methyl-5-Oxo-3-Vinyl-2-Pyrrolylidene)Methyl]-3-[3-Oxo-3-[[(2R,3S,4S,5R,6R)-3,4,5,6-Tetrahydroxy-2-Tetrahydropyranyl]Methoxy]Propyl]-1H-Pyrrol-2-Yl]Methyl]-5-[(Z)-(3-Methyl-5-Oxo-4-Vinyl-2-Pyrrolylidene)Methyl]-1H-Pyrrol-3-Yl]Propanoic Acid; 3-[5-[(Z)-(5-Keto-3-Methyl-4-Vinyl-3-Pyrrolin-2-Ylidene)Methyl]-2-[[5-[(E)-(5-Keto-4-Methyl-3-Vinyl-3-Pyrrolin-2-Ylidene)Methyl]-3-[3-Keto-3-[[(2R,3S,4S,5R,6R)-3,4,5,6-Tetrahydroxytetrahydropyran-2-Yl]Methoxy]Propyl]-4-Methyl-1H-Pyrrol-2-Yl]Methyl]-4-Methyl-1H-Pyrrol-3-Yl]Propionic Acid
• Molecular Formula: C₃₉H₄₆N₄O₁₁
• Molecular Weight: 746.81
• CAS Registry Number: 36570-68-0
• SMILES: [C@@H]1(O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O)COC(=O)CCC2=C([NH]C(=C2C)\C=C/3NC(=O)C(=C3C=C)C)CC4=C(C(=C([NH]4)/C=C/5NC(=O)C(=C5C)C=C)C)CCC(=O)O
• InChI: 1S/C39H46N4O11/c1-7-21-20(6)37(50)43-28(21)14-26-19(5)24(10-12-33(46)53-16-31-34(47)35(48)36(49)39(52)54-31)30(41-26)15-29-23(9-11-32(44)45)18(4)25(40-29)13-27-17(3)22(8-2)38(51)42-27/h7-8,13-14,31,34-36,39-41,47-49,52H,1-2,9-12,15-16H2,3-6H3,(H,42,51)(H,43,50)(H,44,45)/b27-13-,28-14+/t31-,34-,35+,36-,39-/m1/s1
• InChIKey: QQDSVHMLLUCFIR-QKIUCEFSSA-N

Properties

• Density: 1.458g/cm³ (Cal.)
• Boiling point: 1043.721°C at 760 mmHg (Cal.)
• Flash point: 585.021°C (Cal.)