(3aR,4S,5R,6aR)-4-Acetyl-5-ethyl-3a-hydroxy-6a-methylhexahydro-1(2H)-pentalenone
[CAS# 690660-74-3]

Identification

• Name: (3aR,4S,5R,6aR)-4-Acetyl-5-ethyl-3a-hydroxy-6a-methylhexahydro-1(2H)-pentalenone
• Synonyms: (3aR,4S,5R,6aR)-4-acetyl-5-ethyl-3a-hydroxy-6a-methylhexahydropentalen-1(2H)-one
• Molecular Formula: C₁₃H₂₀O₃
• Molecular Weight: 224.30
• CAS Registry Number: 690660-74-3
• SMILES: CC[C@@H]1C[C@]2(C(=O)CC[C@]2([C@H]1C(=O)C)O)C
• InChI: 1S/C13H20O3/c1-4-9-7-12(3)10(15)5-6-13(12,16)11(9)8(2)14/h9,11,16H,4-7H2,1-3H3/t9-,11+,12+,13-/m1/s1
• InChIKey: QYOSMJFNDBPYKN-LPTSXCQYSA-N

Properties

• Density: 1.2±0.1g/cm³ (Cal.)
• Boiling point: 345.7±37.0°C at 760 mmHg (Cal.)
• Flash point: 177.1±23.0°C (Cal.)
• Refractive index: 1.525 (Cal.)