2-Methylpropanoic Acid [(4S)-4,4a,5,6,7,8,8aalpha,9-Octahydro-8alpha-Hydroxy-3,4abeta,5-Trimethyl-9-Oxonaphtho[2,3-b]Furan-4beta-Yl] Ester
[CAS# 55050-48-1]

Identification

• Name: 2-Methylpropanoic Acid [(4S)-4,4a,5,6,7,8,8aalpha,9-Octahydro-8alpha-Hydroxy-3,4abeta,5-Trimethyl-9-Oxonaphtho[2,3-b]Furan-4beta-Yl] Ester
• Synonyms: (8-Hydroxy-3,4A,5-Trimethyl-9-Oxo-4,5,6,7,8,8A-Hexahydrobenzo[F]Benzofuran-4-Yl) 2-Methylpropanoate; 2-Methylpropanoic Acid (8-Hydroxy-3,4A,5-Trimethyl-9-Oxo-4,5,6,7,8,8A-Hexahydrobenzo[F]Benzofuran-4-Yl) Ester; 2-Methylpropionic Acid (8-Hydroxy-9-Keto-3,4A,5-Trimethyl-4,5,6,7,8,8A-Hexahydrobenzo[F]Benzofuran-4-Yl) Ester
• Molecular Formula: C₁₉H₂₆O₅
• Molecular Weight: 334.41
• CAS Registry Number: 55050-48-1
• SMILES: C1=C(C)C2=C(O1)C(C3C(C2OC(=O)C(C)C)(C(CCC3O)C)C)=O
• InChI: 1S/C19H26O5/c1-9(2)18(22)24-17-13-10(3)8-23-16(13)15(21)14-12(20)7-6-11(4)19(14,17)5/h8-9,11-12,14,17,20H,6-7H2,1-5H3
• InChIKey: AXTBBOHGQOEWMH-UHFFFAOYSA-N

Properties

• Density: 1.193g/cm³ (Cal.)
• Boiling point: 449.188°C at 760 mmHg (Cal.)
• Flash point: 225.461°C (Cal.)