(1S,2R,5R)-2-Hydroxy-2-[(3E,6E)-Octa-3,6-Dienyl]-6-Oxabicyclo[3.1.0]Hexan-4-One
[CAS# 147589-12-6]

Identification

• Name: (1S,2R,5R)-2-Hydroxy-2-[(3E,6E)-Octa-3,6-Dienyl]-6-Oxabicyclo[3.1.0]Hexan-4-One
• Synonyms: 6-Oxabicyclo(3.1.0)Hexan-2-One, 4-Hydroxy-4-(3,6-Octadienyl)-, (1Alpha,4Beta,4(3E,6E),5Alpha)-(+-)-; Carbacerulenin; Dl-Carbacerulenin
• Molecular Formula: C₁₃H₁₈O₃
• Molecular Weight: 222.28
• CAS Registry Number: 147589-12-6
• SMILES: [C@H]12O[C@H]1C(=O)C[C@]2(O)CC\C=C\C\C=C\C
• InChI: 1S/C13H18O3/c1-2-3-4-5-6-7-8-13(15)9-10(14)11-12(13)16-11/h2-3,5-6,11-12,15H,4,7-9H2,1H3/b3-2+,6-5+/t11-,12-,13+/m0/s1
• InChIKey: QHVHSBUFOWIADJ-CDDKAPTLSA-N

Properties

• Density: 1.144g/cm³ (Cal.)
• Boiling point: 363.75°C at 760 mmHg (Cal.)
• Flash point: 136.665°C (Cal.)