(3S,3aS,5aR,9R,9aS,9bS)-9-Hydroxy-3,5a,9-Trimethyl-3,3a,4,5,9a,9b-Hexahydronaphtho[6,5-d]Furan-2,6-Dione
[CAS# 3162-56-9]

Identification

• Name: (3S,3aS,5aR,9R,9aS,9bS)-9-Hydroxy-3,5a,9-Trimethyl-3,3a,4,5,9a,9b-Hexahydronaphtho[6,5-d]Furan-2,6-Dione
• Synonyms: (3S,3As,5Ar,9R,9As,9Bs)-9-Hydroxy-3,5A,9-Trimethyl-3,3A,4,5,9A,9B-Hexahydrobenzo[G]Benzofuran-2,6-Dione; (3S,3As,5Ar,9R,9As,9Bs)-9-Hydroxy-3,5A,9-Trimethyl-3,3A,4,5,9A,9B-Hexahydrobenzo[G]Benzofuran-2,6-Quinone; 3A,5,5A,9,9A,9B-Hexahydro-9-Hydroxy-3,5A,9-Trimethylnaphtho(1,2-B)Furan-2,6(3H,4H)-Dione
• Molecular Formula: C₁₅H₂₀O₄
• Molecular Weight: 264.32
• CAS Registry Number: 3162-56-9 (5091-07-6)
• SMILES: [C@@H]12[C@@H]3[C@@](CC[C@H]1[C@H](C)C(O2)=O)(C(C=C[C@@]3(C)O)=O)C
• InChI: 1S/C15H20O4/c1-8-9-4-6-14(2)10(16)5-7-15(3,18)12(14)11(9)19-13(8)17/h5,7-9,11-12,18H,4,6H2,1-3H3/t8-,9-,11-,12+,14-,15+/m0/s1
• InChIKey: NGPDZEACIWDCKX-WUDKWMPASA-N

Properties

• Density: 1.201g/cm³ (Cal.)
• Boiling point: 449.894°C at 760 mmHg (Cal.)
• Flash point: 168.872°C (Cal.)