[(2R,3S,4E,6R,7S)-6,7-Dihydroxy-2-Methyl-10-Oxo-2,3,6,7,8,9-Hexahydrooxecin-3-Yl] (E)-But-2-Enoate
[CAS# 188605-15-4]

Identification

• Name: [(2R,3S,4E,6R,7S)-6,7-Dihydroxy-2-Methyl-10-Oxo-2,3,6,7,8,9-Hexahydrooxecin-3-Yl] (E)-But-2-Enoate
• Synonyms: (E)-But-2-Enoic Acid [(2R,3S,4E,6R,7S)-6,7-Dihydroxy-2-Methyl-10-Oxo-2,3,6,7,8,9-Hexahydrooxecin-3-Yl] Ester; (E)-But-2-Enoic Acid [(2R,3S,4E,6R,7S)-6,7-Dihydroxy-10-Keto-2-Methyl-2,3,6,7,8,9-Hexahydrooxecin-3-Yl] Ester; Aspinolide B
• Molecular Formula: C₁₄H₂₀O₆
• Molecular Weight: 284.31
• CAS Registry Number: 188605-15-4
• SMILES: [C@@H]1(/C=C/[C@H]([C@H](CCC(O[C@@H]1C)=O)O)O)OC(/C=C/C)=O
• InChI: 1S/C14H20O6/c1-3-4-13(17)20-12-7-5-10(15)11(16)6-8-14(18)19-9(12)2/h3-5,7,9-12,15-16H,6,8H2,1-2H3/b4-3+,7-5+/t9-,10-,11+,12+/m1/s1
• InChIKey: UONWLSGBOITROJ-NYKMOZCUSA-N

Properties

• Density: 1.229g/cm³ (Cal.)
• Boiling point: 461.247°C at 760 mmHg (Cal.)
• Flash point: 169.928°C (Cal.)