Ambrosin
[CAS# 509-93-3]

Identification

• Name: Ambrosin
• Synonyms: (3As,6S,6Ar,9Ar,9Br)-6,9A-Dimethyl-3-Methylene-3A,4,5,6,6A,9B-Hexahydroazuleno[7,8-D]Furan-2,9-Dione; (3As,6S,6Ar,9Ar,9Br)-6,9A-Dimethyl-3-Methylene-3A,4,5,6,6A,9B-Hexahydroazuleno[7,8-D]Furan-2,9-Quinone; Acon0_000311
• Molecular Formula: C₁₅H₁₈O₃
• Molecular Weight: 246.31
• CAS Registry Number: 509-93-3
• SMILES: [C@@]23([C@@H]1OC(=O)C([C@@H]1CC[C@@H]([C@@H]2C=CC3=O)C)=C)C
• InChI: 1S/C15H18O3/c1-8-4-5-10-9(2)14(17)18-13(10)15(3)11(8)6-7-12(15)16/h6-8,10-11,13H,2,4-5H2,1,3H3/t8-,10-,11-,13+,15-/m0/s1
• InChIKey: IFXGCKRDLITNAU-JHSUYXJUSA-N

Properties

• Density: 1.2±0.1g/cm³ (Cal.)
• Boiling point: 418.5±45.0°C at 760 mmHg (Cal.)
• Flash point: 187.3±28.8°C (Cal.)