Aromaticin
[CAS# 5945-42-6]

Identification

• Name: Aromaticin
• Synonyms: (3As,5R,5Ar,8As,9Ar)-5,8A-Dimethyl-1-Methylene-3A,4,5,5A,9,9A-Hexahydroazuleno[7,6-D]Furan-2,8-Dione; (3As,5R,5Ar,8As,9Ar)-5,8A-Dimethyl-1-Methylene-3A,4,5,5A,9,9A-Hexahydroazuleno[7,6-D]Furan-2,8-Quinone; Aids-038266
• Molecular Formula: C₁₅H₁₈O₃
• Molecular Weight: 246.31
• CAS Registry Number: 5945-42-6
• SMILES: [C@@]13([C@@H](C=CC1=O)[C@@H](C[C@@H]2OC(C([C@H]2C3)=C)=O)C)C
• InChI: 1S/C15H18O3/c1-8-6-12-10(9(2)14(17)18-12)7-15(3)11(8)4-5-13(15)16/h4-5,8,10-12H,2,6-7H2,1,3H3/t8-,10-,11+,12+,15+/m1/s1
• InChIKey: OSSDUQKWVVZIGP-SCGWIAOYSA-N

Properties

• Density: 1.166g/cm³ (Cal.)
• Boiling point: 418.519°C at 760 mmHg (Cal.)
• Flash point: 187.276°C (Cal.)