2-Methylbutyric Acid [2,3,3a,4,4a,5,7a,8,9,9alpha-Decahydro-3,4a,8-Trimethyl-2,5-Dioxoazuleno[6,5-b]Furan-4-Yl] Ester
[CAS# 63569-08-4]

Identification

• Name: 2-Methylbutyric Acid [2,3,3a,4,4a,5,7a,8,9,9alpha-Decahydro-3,4a,8-Trimethyl-2,5-Dioxoazuleno[6,5-b]Furan-4-Yl] Ester
• Synonyms: 2-Methylbutanoic Acid [(1S,3Ar,5R,5Ar,8Ar,9S,9Ar)-1,5,8A-Trimethyl-2,8-Dioxo-3A,4,5,5A,9,9A-Hexahydro-1H-Azuleno[6,5-B]Furan-9-Yl] Ester; 2-Methylbutyric Acid [(1S,3Ar,5R,5Ar,8Ar,9S,9Ar)-2,8-Diketo-1,5,8A-Trimethyl-3A,4,5,5A,9,9A-Hexahydro-1H-Azuleno[5,6-D]Furan-9-Yl] Ester; Butanoic Acid, 2-Methyl-, (3S,3Ar,4S,4Ar,7Ar,8R,9Ar)-2,3,3A,4,4A,5,7A,8,9,9A-Decahydro-3,4A,8-Trimethyl-2,5-Dioxoazuleno(6,5-B)Furan-4-Yl Ester
• Molecular Formula: C₂₀H₂₈O₅
• Molecular Weight: 348.44
• CAS Registry Number: 63569-08-4
• SMILES: [C@@]23([C@H]([C@H]1[C@H](OC([C@H]1C)=O)C[C@H]([C@@H]2C=CC3=O)C)OC(=O)C(CC)C)C
• InChI: 1S/C20H28O5/c1-6-10(2)18(22)25-17-16-12(4)19(23)24-14(16)9-11(3)13-7-8-15(21)20(13,17)5/h7-8,10-14,16-17H,6,9H2,1-5H3/t10?,11-,12+,13+,14-,16-,17+,20+/m1/s1
• InChIKey: VSRLMYQKLUPERI-JCQBEPMYSA-N

Properties

• Density: 1.153g/cm³ (Cal.)
• Boiling point: 483.833°C at 760 mmHg (Cal.)
• Flash point: 210.926°C (Cal.)