1,2-Dihydro-alpha-Santonin
[CAS# 18409-93-3]

Identification

• Name: 1,2-Dihydro-alpha-Santonin
• Synonyms: (3S,3As,5As,9Bs)-3,5A,9-Trimethyl-3A,4,5,6,7,9B-Hexahydro-3H-Benzo[G]Benzofuran-2,8-Dione; (3S,3As,5As,9Bs)-3,5A,9-Trimethyl-3A,4,5,6,7,9B-Hexahydro-3H-Benzo[G]Benzofuran-2,8-Quinone; (3S,3As,5As,9Bs)-3,5A,9-Trimethyl-3A,5,5A,6,7,9B-Hexahydronaphtho[1,2-B]Furan-2,8(3H,4H)-Dione
• Molecular Formula: C₁₅H₂₀O₃
• Molecular Weight: 248.32
• CAS Registry Number: 18409-93-3
• SMILES: [C@@H]23C1=C(C(CC[C@@]1(CC[C@H]2[C@H](C)C(O3)=O)C)=O)C
• InChI: 1S/C15H20O3/c1-8-10-4-6-15(3)7-5-11(16)9(2)12(15)13(10)18-14(8)17/h8,10,13H,4-7H2,1-3H3/t8-,10-,13-,15-/m0/s1
• InChIKey: TYHGCPJCCQBRMP-BOCCBSBMSA-N

Properties

• Density: 1.154g/cm³ (Cal.)
• Boiling point: 418.738°C at 760 mmHg (Cal.)
• Flash point: 186.994°C (Cal.)