Mexicanine E
[CAS# 5945-40-4]

Identification

• Name: Mexicanine E
• Synonyms: (3Ar,5R,5Ar,8Ar,9Ar)-5-Methyl-1-Methylene-4,5,5A,8A,9,9A-Hexahydro-3Ah-Azuleno[7,6-D]Furan-2,8-Dione; (3Ar,5R,5Ar,8Ar,9Ar)-5-Methyl-1-Methylene-4,5,5A,8A,9,9A-Hexahydro-3Ah-Azuleno[7,6-D]Furan-2,8-Quinone; Azuleno(6,5-B)Furan-2,5-Dione, 3,3A,4,4A,7A,8,9,9A-Octahydro-8-Methyl-3-Methylen
• Molecular Formula: C₁₄H₁₆O₃
• Molecular Weight: 232.28
• CAS Registry Number: 5945-40-4
• SMILES: [C@@H]13C(C(O[C@@H]1C[C@H]([C@@H]2C=CC([C@@H]2C3)=O)C)=O)=C
• InChI: 1S/C14H16O3/c1-7-5-13-10(8(2)14(16)17-13)6-11-9(7)3-4-12(11)15/h3-4,7,9-11,13H,2,5-6H2,1H3/t7-,9+,10-,11-,13-/m1/s1
• InChIKey: GQOWVFHMXITOCQ-QWRHMFJTSA-N

Properties

• Density: 1.19g/cm³ (Cal.)
• Boiling point: 426.386°C at 760 mmHg (Cal.)
• Flash point: 192.367°C (Cal.)