(1S,5R,6S)-5-Hydroxy-3-[(1R)-1-Hydroxy-3-Methyl-2-Buten-1-Yl]-7-Oxabicyclo[4.1.0]Hept-3-En-2-One
[CAS# 31298-54-1]

Identification

• Name: (1S,5R,6S)-5-Hydroxy-3-[(1R)-1-Hydroxy-3-Methyl-2-Buten-1-Yl]-7-Oxabicyclo[4.1.0]Hept-3-En-2-One
• Synonyms: (1S,5R,6S)-5-Hydroxy-3-((R)-1-hydroxy-3-methyl-but-2-enyl)-7-oxa-bicyclo[4.1.0]hept-3-en-2-one; Panepoxydone from Lentinus critinus
• Molecular Formula: C₁₁H₁₄O₄
• Molecular Weight: 210.23
• CAS Registry Number: 31298-54-1
• SMILES: CC(=C[C@H](C1=C[C@H]([C@H]2[C@@H](C1=O)O2)O)O)C
• InChI: 1S/C11H14O4/c1-5(2)3-7(12)6-4-8(13)10-11(15-10)9(6)14/h3-4,7-8,10-13H,1-2H3/t7-,8-,10+,11-/m1/s1
• InChIKey: MBXKEYXHJAZKBP-DEKFOEGESA-N

Properties

• Density: 1.3±0.1g/cm³ (Cal.)
• Boiling point: 437.9±45.0°C at 760 mmHg (Cal.)
• Flash point: 176.2±22.2°C (Cal.)