Trichotomine
[CAS# 53472-14-3]

Identification

• Name: Trichotomine
• Synonyms: (2E,5S)-2-[(5S)-5-Carboxy-3-Keto-6,11-Dihydro-5H-Pyrrolo[5,1-A]$B-Carbolin-2-Ylidene]-3-Keto-6,11-Dihydro-5H-Pyrrolo[5,1-A]$B-Carboline-5-Carboxylic Acid; C09247; Trichotomine
• Molecular Formula: C₃₀H₂₀N₄O₆
• Molecular Weight: 532.51
• CAS Registry Number: 53472-14-3
• SMILES: [C@@H]8(N5C(\C(=C1\C(N2C(=C1)C3=C(C[C@H]2C(=O)O)C4=C([NH]3)C=CC=C4)=O)C=C5C6=C(C7=C([NH]6)C=CC=C7)C8)=O)C(=O)O
• InChI: 1S/C30H20N4O6/c35-27-17(11-21-25-15(9-23(29(37)38)33(21)27)13-5-1-3-7-19(13)31-25)18-12-22-26-16(14-6-2-4-8-20(14)32-26)10-24(30(39)40)34(22)28(18)36/h1-8,11-12,23-24,31-32H,9-10H2,(H,37,38)(H,39,40)/b18-17+/t23-,24-/m0/s1
• InChIKey: LOHPAPKRMNSIDN-GKIAHDCUSA-N

Properties

• Density: 1.76g/cm³ (Cal.)
• Boiling point: 1115.732°C at 760 mmHg (Cal.)
• Flash point: 628.572°C (Cal.)