2-Methylbutanoic acid 2,3,3a,4,8,9,10,12a-octahydro-11-(hydroxymethyl)-3-methylene-2,6-dioxo-6H-4,7-methenofuro(3,2-c)oxacycloundecin-8-yl ester
[CAS# 68612-45-3]

Identification

• Name: 2-Methylbutanoic acid 2,3,3a,4,8,9,10,12a-octahydro-11-(hydroxymethyl)-3-methylene-2,6-dioxo-6H-4,7-methenofuro(3,2-c)oxacycloundecin-8-yl ester
• Molecular Formula: C₂₀H₂₄O₇
• Molecular Weight: 376.41
• CAS Registry Number: 68612-45-3
• SMILES: C(O)/C3=C/C1OC(=O)C(C1C2OC(=O)C(=C2)C(OC(=O)C(CC)C)CC3)=C
• InChI: 1S/C20H24O7/c1-4-10(2)18(22)25-14-6-5-12(9-21)7-15-17(11(3)19(23)26-15)16-8-13(14)20(24)27-16/h7-8,10,14-17,21H,3-6,9H2,1-2H3/b12-7+
• InChIKey: PUJGIZDDMGEBCG-KPKJPENVSA-N

Properties

• Density: 1.289g/cm³ (Cal.)
• Boiling point: 636.867°C at 760 mmHg (Cal.)
• Flash point: 227.1°C (Cal.)