[(3aR,4R,5Z,9E,11aS)-6-(Acetoxymethyl)-10-Methyl-3-Methylene-2-Oxo-3A,4,7,8,11,11A-Hexahydrocyclodeca[b]Furan-4-Yl] 2,3-Dihydroxy-2-Methyl-Propanoate
[CAS# 20055-57-6]

Identification

• Name: [(3aR,4R,5Z,9E,11aS)-6-(Acetoxymethyl)-10-Methyl-3-Methylene-2-Oxo-3A,4,7,8,11,11A-Hexahydrocyclodeca[b]Furan-4-Yl] 2,3-Dihydroxy-2-Methyl-Propanoate
• Molecular Formula: C₂₁H₂₈O₈
• Molecular Weight: 408.44
• CAS Registry Number: 20055-57-6
• SMILES: CC(O)(CO)C(=O)O[C@@H]1/C=C(/CC\C=C(\C)C[C@@H]2OC(=O)C(=C)[C@@H]12)COC(C)=O
• InChI: 1S/C21H28O8/c1-12-6-5-7-15(10-27-14(3)23)9-17(29-20(25)21(4,26)11-22)18-13(2)19(24)28-16(18)8-12/h6,9,16-18,22,26H,2,5,7-8,10-11H2,1,3-4H3/b12-6-,15-9-/t16-,17+,18+,21?/m0/s1
• InChIKey: SQQDHMIYFXZFNM-HMZPHODBSA-N

Properties

• Density: 1.263g/cm³ (Cal.)
• Boiling point: 606.049°C at 760 mmHg (Cal.)
• Flash point: 208.512°C (Cal.)
• Refractive index: 1.547 (Cal.)