Cornigerine
[CAS# 6877-25-4]

Identification

• Name: Cornigerine
• Synonyms: Nsc 358825; Cornigerine; Acetamide, N-(4,6,7,8-Tetrahydro-3,13-Dimethoxy-4-Oxoheptaleno(1,2-F)(1,3)Benzodioxol-6-Yl)-, (S)-
• Molecular Formula: C₂₁H₂₁NO₆
• Molecular Weight: 383.40
• CAS Registry Number: 6877-25-4
• SMILES: C2=C1OCOC1=C(C3=C2CCC(C4=CC(=O)C(=CC=C34)OC)NC(=O)C)OC
• InChI: 1S/C21H21NO6/c1-11(23)22-15-6-4-12-8-18-20(28-10-27-18)21(26-3)19(12)13-5-7-17(25-2)16(24)9-14(13)15/h5,7-9,15H,4,6,10H2,1-3H3,(H,22,23)
• InChIKey: DCYAJVOKJAFSES-UHFFFAOYSA-N

Properties

• Density: 1.354g/cm³ (Cal.)
• Boiling point: 744.491°C at 760 mmHg (Cal.)
• Flash point: 404.054°C (Cal.)