(1S,3aR,5R,5aR,8aR,9S,9aS)-9-Hydroxy-1,5,8a-Trimethyl-3a,4,5,5a,9,9a-Hexahydro-1H-Azuleno[7,6-D]Furan-2,8-Dione
[CAS# 34257-95-9]

Identification

• Name: (1S,3aR,5R,5aR,8aR,9S,9aS)-9-Hydroxy-1,5,8a-Trimethyl-3a,4,5,5a,9,9a-Hexahydro-1H-Azuleno[7,6-D]Furan-2,8-Dione
• Synonyms: (1S,3Ar,5R,5Ar,8Ar,9S,9As)-9-Hydroxy-1,5,8A-Trimethyl-3A,4,5,5A,9,9A-Hexahydro-1H-Azuleno[7,6-D]Furan-2,8-Quinone; C09531; Plenolin
• Molecular Formula: C₁₅H₂₀O₄
• Molecular Weight: 264.32
• CAS Registry Number: 34257-95-9
• SMILES: [C@@]23([C@H]([C@H]1[C@H](OC([C@H]1C)=O)C[C@H]([C@@H]2C=CC3=O)C)O)C
• InChI: 1S/C15H20O4/c1-7-6-10-12(8(2)14(18)19-10)13(17)15(3)9(7)4-5-11(15)16/h4-5,7-10,12-13,17H,6H2,1-3H3/t7-,8+,9+,10-,12-,13+,15+/m1/s1
• InChIKey: ICKWITMQEROMDG-ZIXXKTFOSA-N

Properties

• Density: 1.192g/cm³ (Cal.)
• Boiling point: 451.445°C at 760 mmHg (Cal.)
• Flash point: 169.542°C (Cal.)

References

• (1): S.-C. Pu, C.-L. Tu and Y. Deng. 4-Hydroxy-3,4a,8-trimethyl-3,3a,4,4a,7a,8,9,9a-octahydroazuleno[6,5-b]furan-2,5-dione, Acta Cryst. (2007). E63, o4543