3-[5-[(E)-(3-Ethenyl-4-Methyl-5-Oxopyrrol-2-Ylidene)Methyl]-2-[[5-[(Z)-(4-Ethenyl-3-Methyl-5-Oxopyrrol-2-Ylidene)Methyl]-4-Methyl-3-[3-Oxo-3-[(2S,3R,4S,5R)-3,4,5-Trihydroxyoxan-2-Yl]Oxypropyl]-1H-Pyrrol-2-Yl]Methyl]-4-Methyl-1H-Pyrrol-3-Yl]Propanoic Acid
[CAS# 36570-69-1]

Identification

• Name: 3-[5-[(E)-(3-Ethenyl-4-Methyl-5-Oxopyrrol-2-Ylidene)Methyl]-2-[[5-[(Z)-(4-Ethenyl-3-Methyl-5-Oxopyrrol-2-Ylidene)Methyl]-4-Methyl-3-[3-Oxo-3-[(2S,3R,4S,5R)-3,4,5-Trihydroxyoxan-2-Yl]Oxypropyl]-1H-Pyrrol-2-Yl]Methyl]-4-Methyl-1H-Pyrrol-3-Yl]Propanoic Acid
• Synonyms: 3-[4-Methyl-2-[[4-Methyl-5-[(Z)-(3-Methyl-5-Oxo-4-Vinyl-Pyrrol-2-Ylidene)Methyl]-3-[3-Oxo-3-[(2S,3R,4S,5R)-3,4,5-Trihydroxytetrahydropyran-2-Yl]Oxy-Propyl]-1H-Pyrrol-2-Yl]Methyl]-5-[(E)-(4-Methyl-5-Oxo-3-Vinyl-Pyrrol-2-Ylidene)Methyl]-1H-Pyrrol-3-Yl]Propanoic Acid; 3-[4-Methyl-2-[[4-Methyl-5-[(Z)-(3-Methyl-5-Oxo-4-Vinyl-2-Pyrrolylidene)Methyl]-3-[3-Oxo-3-[[(2S,3R,4S,5R)-3,4,5-Trihydroxy-2-Tetrahydropyranyl]Oxy]Propyl]-1H-Pyrrol-2-Yl]Methyl]-5-[(E)-(4-Methyl-5-Oxo-3-Vinyl-2-Pyrrolylidene)Methyl]-1H-Pyrrol-3-Yl]Propanoic Acid; 3-[5-[(E)-(5-Keto-4-Methyl-3-Vinyl-3-Pyrrolin-2-Ylidene)Methyl]-2-[[5-[(Z)-(5-Keto-3-Methyl-4-Vinyl-3-Pyrrolin-2-Ylidene)Methyl]-3-[3-Keto-3-[(2S,3R,4S,5R)-3,4,5-Trihydroxytetrahydropyran-2-Yl]Oxy-Propyl]-4-Methyl-1H-Pyrrol-2-Yl]Methyl]-4-Methyl-1H-Pyrrol-3-Yl]Propionic Acid
• Molecular Formula: C₃₈H₄₄N₄O₁₀
• Molecular Weight: 716.79
• CAS Registry Number: 36570-69-1
• SMILES: [C@@H]5(OC(=O)CCC1=C([NH]C(=C1C)/C=C/2NC(=O)C(=C2C)C=C)CC3=C(C(=C([NH]3)\C=C/4NC(=O)C(=C4C=C)C)C)CCC(=O)O)OC[C@@H](O)[C@H](O)[C@H]5O
• InChI: 1S/C38H44N4O10/c1-7-21-20(6)36(49)42-28(21)14-26-18(4)23(9-11-32(44)45)29(40-26)15-30-24(10-12-33(46)52-38-35(48)34(47)31(43)16-51-38)19(5)25(39-30)13-27-17(3)22(8-2)37(50)41-27/h7-8,13-14,31,34-35,38-40,43,47-48H,1-2,9-12,15-16H2,3-6H3,(H,41,50)(H,42,49)(H,44,45)/b27-13-,28-14+/t31-,34+,35-,38+/m1/s1
• InChIKey: KSEFILCGLFHYCA-QJPXZCHJSA-N

Properties

• Density: 1.421g/cm³ (Cal.)
• Boiling point: 1008.641°C at 760 mmHg (Cal.)
• Flash point: 563.806°C (Cal.)