(3aR,4S,5S,6R,7S,8aS)-5,7-Dihydroxy-4,6-Dimethyloctahydro-2H-Cyclohepta[b]Furan-2-One
[CAS# 328394-37-2]

Identification

• Name: (3aR,4S,5S,6R,7S,8aS)-5,7-Dihydroxy-4,6-Dimethyloctahydro-2H-Cyclohepta[b]Furan-2-One
• Molecular Formula: C₁₁H₁₈O₄
• Molecular Weight: 214.26
• CAS Registry Number: 328394-37-2
• SMILES: C[C@@H]1[C@H](C[C@H]2[C@H](CC(=O)O2)[C@@H]([C@@H]1O)C)O
• InChI: 1S/C11H18O4/c1-5-7-3-10(13)15-9(7)4-8(12)6(2)11(5)14/h5-9,11-12,14H,3-4H2,1-2H3/t5-,6+,7+,8-,9-,11-/m0/s1
• InChIKey: NIGWJVKMHAAYOL-AXRLLLBRSA-N

Properties

• Density: 1.2±0.1g/cm³ (Cal.)
• Boiling point: 405.2±45.0°C at 760 mmHg (Cal.)
• Flash point: 159.3±22.2°C (Cal.)
• Refractive index: 1.511 (Cal.)