(4aS,5R,8aR,9aS)-9a-Hydroxy-3,4a,5-Trimethyl-4,5,6,7,8a,9-Hexahydrobenzo[f][1]Benzoxole-2,8-Dione
[CAS# 35481-83-5]

Identification

• Name: (4aS,5R,8aR,9aS)-9a-Hydroxy-3,4a,5-Trimethyl-4,5,6,7,8a,9-Hexahydrobenzo[f][1]Benzoxole-2,8-Dione
• Synonyms: (4As,5R,8Ar,9As)-9A-Hydroxy-3,4A,5-Trimethyl-4,5,6,7,8A,9-Hexahydrobenzo[F]Benzofuran-2,8-Dione; (4As,5R,8Ar,9As)-9A-Hydroxy-3,4A,5-Trimethyl-4,5,6,7,8A,9-Hexahydrobenzo[F]Benzofuran-2,8-Quinone; Istanbulin A
• Molecular Formula: C₁₅H₂₀O₄
• Molecular Weight: 264.32
• CAS Registry Number: 35481-83-5
• SMILES: [C@@]12(C(=C(C)C(O1)=O)C[C@@]3([C@@H](C2)C(CC[C@H]3C)=O)C)O
• InChI: 1S/C15H20O4/c1-8-4-5-12(16)11-7-15(18)10(6-14(8,11)3)9(2)13(17)19-15/h8,11,18H,4-7H2,1-3H3/t8-,11+,14+,15+/m1/s1
• InChIKey: HYBIDSYXKTYHCM-BXLXJPJESA-N

Properties

• Density: 1.244g/cm³ (Cal.)
• Boiling point: 462.497°C at 760 mmHg (Cal.)
• Flash point: 174.293°C (Cal.)

References

• (1): Matías López-Rodríguez, Matías Reina, D. M. Domínguez-Díaz, V. Fajardo and L. Villarroel . (-)-Istanbulin A , Acta Cryst (2009). E65, o2330 Â