(3aR,5S,6S,7aR)-6-Acetyl-3A,5-Dihydroxyoctahydro-4H-Inden-4-One
[CAS# 335388-81-3]

Identification

• Name: (3aR,5S,6S,7aR)-6-Acetyl-3A,5-Dihydroxyoctahydro-4H-Inden-4-One
• Synonyms: (3aR,5S,6S,7aR)-6-acetyl-3a,5-dihydroxyhexahydro-1H-inden-4(2H)-one
• Molecular Formula: C₁₁H₁₆O₄
• Molecular Weight: 212.24
• CAS Registry Number: 335388-81-3
• SMILES: CC(=O)[C@H]1C[C@H]2CCC[C@@]2(C(=O)[C@H]1O)O
• InChI: 1S/C11H16O4/c1-6(12)8-5-7-3-2-4-11(7,15)10(14)9(8)13/h7-9,13,15H,2-5H2,1H3/t7-,8-,9+,11-/m1/s1
• InChIKey: BYKMPORXCFWBBI-SDNRWEOFSA-N

Properties

• Density: 1.4±0.1g/cm³ (Cal.)
• Boiling point: 404.5±45.0°C at 760 mmHg (Cal.)
• Flash point: 212.6±25.2°C (Cal.)
• Refractive index: 1.576 (Cal.)