[(3aR,4S,9aS,9bR)-3-Acetoxy-3,6,9-trimethyl-2,7-dioxo-4,5,9a,9b-tetrahydro-3aH-azuleno[5,4-d]furan-4-yl] 2-methylprop-2-enoate
[CAS# 41989-32-6]

Identification

• Name: [(3aR,4S,9aS,9bR)-3-Acetoxy-3,6,9-trimethyl-2,7-dioxo-4,5,9a,9b-tetrahydro-3aH-azuleno[5,4-d]furan-4-yl] 2-methylprop-2-enoate
• Synonyms: [(3Ar,4S,9As,9Br)-3-Acetoxy-3,6,9-Trimethyl-2,7-Dioxo-4,5,9A,9B-Tetrahydro-3Ah-Azuleno[5,4-D]Furan-4-Yl] 2-Methylprop-2-Enoate; 2-Methylprop-2-Enoic Acid [(3Ar,4S,9As,9Br)-3-Acetoxy-3,6,9-Trimethyl-2,7-Dioxo-4,5,9A,9B-Tetrahydro-3Ah-Azuleno[5,4-D]Furan-4-Yl] Ester; 2-Methylacrylic Acid [(3Ar,4S,9As,9Br)-3-Acetoxy-2,7-Diketo-3,6,9-Trimethyl-4,5,9A,9B-Tetrahydro-3Ah-Azuleno[5,4-D]Furan-4-Yl] Ester
• Molecular Formula: C₂₁H₂₄O₇
• Molecular Weight: 388.42
• CAS Registry Number: 41989-32-6
• SMILES: [C@H]12C(C(O[C@@H]1[C@@H]3C(=C(C[C@@H]2OC(C(=C)C)=O)C)C(=O)C=C3C)=O)(OC(=O)C)C
• InChI: 1S/C21H24O7/c1-9(2)19(24)26-14-8-11(4)15-13(23)7-10(3)16(15)18-17(14)21(6,20(25)27-18)28-12(5)22/h7,14,16-18H,1,8H2,2-6H3/t14-,16-,17+,18+,21?/m0/s1
• InChIKey: ZGKAPILEDVFISS-JHCFEDOPSA-N

Properties

• Density: 1.263g/cm³ (Cal.)
• Boiling point: 543.819°C at 760 mmHg (Cal.)
• Flash point: 237.137°C (Cal.)