2-Propenoic acid,2-methyl-,(3aR,4R,6R,11aR)-2,3,3a,4,5,6,7,11a-octahydro-6,10-dimethyl-3-methylene-2,7-dioxo-6,9-epoxy(10Z)-cyclodeca[b]furan-4-ylester
[CAS# 30412-86-3]

Identification

• Name: 2-Propenoic acid,2-methyl-,(3aR,4R,6R,11aR)-2,3,3a,4,5,6,7,11a-octahydro-6,10-dimethyl-3-methylene-2,7-dioxo-6,9-epoxy(10Z)-cyclodeca[b]furan-4-ylester
• Synonyms: Calaxin
• Molecular Formula: C₁₉H₂₀O₆
• Molecular Weight: 344.36
• CAS Registry Number: 30412-86-3
• SMILES: [C@@]13(OC(=CC1=O)C(=C/[C@@H]2[C@H](C(=C)C(O2)=O)[C@@H](C3)OC(C(=C)C)=O)\C)C
• InChI: 1S/C19H20O6/c1-9(2)17(21)24-14-8-19(5)15(20)7-12(25-19)10(3)6-13-16(14)11(4)18(22)23-13/h6-7,13-14,16H,1,4,8H2,2-3,5H3/b10-6-/t13-,14-,16+,19-/m1/s1
• InChIKey: RYBHZNMPMHOBAR-IRNKKCRZSA-N

Properties

• Density: 1.262g/cm³ (Cal.)
• Boiling point: 557.759°C at 760 mmHg (Cal.)
• Flash point: 246.43°C (Cal.)