Fumaricine
[CAS# 24181-77-9]

Identification

• Name: Fumaricine
• Synonyms: (1R,8'S)-6,7-Dimethoxy-2-Methyl-Spiro[3,4-Dihydroisoquinoline-1,7'-6,8-Dihydrocyclopenta[G][1,3]Benzodioxole]-8'-Ol; (1R,8'S)-6,7-Dimethoxy-2-Methyl-8'-Spiro[3,4-Dihydroisoquinoline-1,7'-6,8-Dihydrocyclopenta[G][1,3]Benzodioxole]Ol; C09444
• Molecular Formula: C₂₁H₂₃NO₅
• Molecular Weight: 369.42
• CAS Registry Number: 24181-77-9
• SMILES: [C@@]13(N(CCC2=CC(=C(OC)C=C12)OC)C)[C@@H](O)C4=C(C3)C=CC5=C4OCO5
• InChI: 1S/C21H23NO5/c1-22-7-6-12-8-16(24-2)17(25-3)9-14(12)21(22)10-13-4-5-15-19(27-11-26-15)18(13)20(21)23/h4-5,8-9,20,23H,6-7,10-11H2,1-3H3/t20-,21+/m0/s1
• InChIKey: QDNMFIYGVRUVCE-LEWJYISDSA-N

Properties

• Density: 1.382g/cm³ (Cal.)
• Boiling point: 495.397°C at 760 mmHg (Cal.)
• Flash point: 253.407°C (Cal.)