(3aS,5aS,6R,9aR,9bS)-6,9a-dihydroxy-5a-methyl-3,9-dimethylene-4,5,6,7,8,9b-hexahydro-3aH-benzo[g]benzofuran-2-one
[CAS# 1401-54-3]

Identification

• Name: (3aS,5aS,6R,9aR,9bS)-6,9a-dihydroxy-5a-methyl-3,9-dimethylene-4,5,6,7,8,9b-hexahydro-3aH-benzo[g]benzofuran-2-one
• Molecular Formula: C₁₅H₂₀O₄
• Molecular Weight: 264.32
• CAS Registry Number: 1401-54-3
• SMILES: C[C@@]12CC[C@@H]3[C@@H]([C@]1(C(=C)CC[C@H]2O)O)OC(=O)C3=C
• InChI: 1S/C15H20O4/c1-8-4-5-11(16)14(3)7-6-10-9(2)13(17)19-12(10)15(8,14)18/h10-12,16,18H,1-2,4-7H2,3H3/t10-,11+,12-,14-,15-/m0/s1
• InChIKey: CFUWPZZLCJXNSQ-XXUMUBMXSA-N

Properties

• Density: 1.3±0.1g/cm³ (Cal.)
• Boiling point: 461.5±45.0°C at 760 mmHg (Cal.)
• Flash point: 173.9±22.2°C (Cal.)
• Refractive index: 1.572 (Cal.)