2-Methylpropionic Acid [(3aR,6abeta,9abeta,9balpha)-Dodecahydro-8alpha-Hydroxy-3,6,9-Tris(Methylene)-2-Oxoazuleno[4,5-b]Furan-4beta-Yl] Ester
[CAS# 68370-46-7]

Identification

• Name: 2-Methylpropionic Acid [(3aR,6abeta,9abeta,9balpha)-Dodecahydro-8alpha-Hydroxy-3,6,9-Tris(Methylene)-2-Oxoazuleno[4,5-b]Furan-4beta-Yl] Ester
• Synonyms: [(8S,9Br)-8-Hydroxy-3,6,9-Trimethylene-2-Oxo-3A,4,5,6A,7,8,9A,9B-Octahydroazuleno[4,5-B]Furan-4-Yl] 2-Methylpropanoate; 2-Methylpropanoic Acid [(8S,9Br)-8-Hydroxy-3,6,9-Trimethylene-2-Oxo-3A,4,5,6A,7,8,9A,9B-Octahydroazuleno[4,5-B]Furan-4-Yl] Ester; 2-Methylpropionic Acid [(8S,9Br)-8-Hydroxy-2-Keto-3,6,9-Trimethylene-3A,4,5,6A,7,8,9A,9B-Octahydroazuleno[5,4-D]Furan-4-Yl] Ester
• Molecular Formula: C₁₉H₂₄O₅
• Molecular Weight: 332.40
• CAS Registry Number: 68370-46-7
• SMILES: [C@@H]23C1C(=C)[C@H](CC1C(CC(C2C(C(=O)O3)=C)OC(=O)C(C)C)=C)O
• InChI: 1S/C19H24O5/c1-8(2)18(21)23-14-6-9(3)12-7-13(20)10(4)15(12)17-16(14)11(5)19(22)24-17/h8,12-17,20H,3-7H2,1-2H3/t12?,13-,14?,15?,16?,17+/m0/s1
• InChIKey: KCMNJMYYSFJSAZ-XIZJWTTESA-N

Properties

• Density: 1.195g/cm³ (Cal.)
• Boiling point: 498.976°C at 760 mmHg (Cal.)
• Flash point: 176.672°C (Cal.)