(6aR,10E,11aS,11bR)-10-(1-Aminoethylidene)-7,7-Dimethyl-6A,7,11A,11B-Tetrahydro-6H-Pyrrolo[1',2':2,3]Isoindolo[4,5,6-Cd]Indole-9,11(2H,10H)-Dione
[CAS# 31008-94-3]

Identification

• Name: (6aR,10E,11aS,11bR)-10-(1-Aminoethylidene)-7,7-Dimethyl-6A,7,11A,11B-Tetrahydro-6H-Pyrrolo[1',2':2,3]Isoindolo[4,5,6-Cd]Indole-9,11(2H,10H)-Dione
• Synonyms: 6H-Pyrrolo(1',2':2,3)isoindolo(4,5,6-cd)indole-9,11(2H,10H)-dione, 10-(1-aminoethylidene)-6a,7,11a,11b-tetrahydro-7,7-dimethyl-, (6aα,10E,11aβ,11bα)-; Cyclopiazonic acid imine
• Molecular Formula: C₂₀H₂₁N₃O₂
• Molecular Weight: 335.40
• CAS Registry Number: 31008-94-3
• SMILES: O=C4/C(=C(\N)C)C(=O)N5C([C@@H]3Cc2c1c(cnc1ccc2)[C@@H]3[C@@H]45)(C)C
• InChI: 1S/C20H21N3O2/c1-9(21)14-18(24)17-16-11-8-22-13-6-4-5-10(15(11)13)7-12(16)20(2,3)23(17)19(14)25/h4-6,8,12,16-17,22H,7,21H2,1-3H3/b14-9+/t12-,16+,17+/m1/s1
• InChIKey: AFOUSJMOYMLOPA-CIGIFLASSA-N

Properties

• Density: 1.385g/cm³ (Cal.)
• Boiling point: 611.263°C at 760 mmHg (Cal.)
• Flash point: 323.48°C (Cal.)