Encelin
[CAS# 15569-50-3]

Identification

• Name: Encelin
• Synonyms: (3Ar,4Ar,8As,9Ar)-8A-Methyl-3,5-Dimethylene-4,4A,9,9A-Tetrahydro-3Ah-Benzo[F]Benzofuran-2,6-Dione; (3Ar,4Ar,8As,9Ar)-8A-Methyl-3,5-Dimethylene-4,4A,9,9A-Tetrahydro-3Ah-Benzo[F]Benzofuran-2,6-Quinone; 8.Beta-Hydroxy-3-Oxo-Eudesma-1,4(14),11(13)-Trien-12-Oic Acid, .Gamma.-Lactone
• Molecular Formula: C₁₅H₁₆O₃
• Molecular Weight: 244.29
• CAS Registry Number: 15569-50-3
• SMILES: [C@]23(C[C@H]1OC(C([C@H]1C[C@H]2C(C(=O)C=C3)=C)=C)=O)C
• InChI: 1S/C15H16O3/c1-8-10-6-11-9(2)12(16)4-5-15(11,3)7-13(10)18-14(8)17/h4-5,10-11,13H,1-2,6-7H2,3H3/t10-,11+,13-,15-/m1/s1
• InChIKey: LXMUZMFQJGRVFW-NDPMZMCLSA-N

Properties

• Density: 1.187g/cm³ (Cal.)
• Boiling point: 432.598°C at 760 mmHg (Cal.)
• Flash point: 194.483°C (Cal.)