(S)-2-Methylbutanoic Acid [(1aR,3aalpha,5aalpha,8aalpha,9aS)-Decahydro-1abeta,4alpha,8beta-Trimethyl-7-Oxo-3H-Oxireno[3,3a]Azuleno[6,5-b]Furan-3alpha-Yl] Ester
[CAS# 72264-71-2]

Identification

• Name: (S)-2-Methylbutanoic Acid [(1aR,3aalpha,5aalpha,8aalpha,9aS)-Decahydro-1abeta,4alpha,8beta-Trimethyl-7-Oxo-3H-Oxireno[3,3a]Azuleno[6,5-b]Furan-3alpha-Yl] Ester
• Molecular Formula: C₂₀H₃₀O₅
• Molecular Weight: 350.45
• CAS Registry Number: 72264-71-2
• SMILES: [C@]134[C@](C[C@@H]([C@H]1[C@@H](C[C@H]2OC([C@H]([C@H]2C3)C)=O)C)OC(=O)[C@H](CC)C)(C)O4
• InChI: 1S/C20H30O5/c1-6-10(2)17(21)24-15-9-19(5)20(25-19)8-13-12(4)18(22)23-14(13)7-11(3)16(15)20/h10-16H,6-9H2,1-5H3/t10-,11+,12-,13+,14+,15-,16+,19+,20-/m0/s1
• InChIKey: ZNGHAWGHVJXQJS-XDMDFCAASA-N

Properties

• Density: 1.17g/cm³ (Cal.)
• Boiling point: 468.424°C at 760 mmHg (Cal.)
• Flash point: 203.924°C (Cal.)