4-Methyl-12-(1-Methylvinyl)-8-Oxo-3,7,17-Trioxatetracyclo[12.2.1.16,9.02,4]Octadeca-9(18),14,16(1)-Triene-15-Carboxylic Acid Methyl Ester
[CAS# 58772-81-9]

Identification

• Name: 4-Methyl-12-(1-Methylvinyl)-8-Oxo-3,7,17-Trioxatetracyclo[12.2.1.16,9.02,4]Octadeca-9(18),14,16(1)-Triene-15-Carboxylic Acid Methyl Ester
• Synonyms: Pukalide; Nsc217990; Sc-1
• Molecular Formula: C₂₁H₂₄O₆
• Molecular Weight: 372.42
• CAS Registry Number: 58772-81-9
• SMILES: O1C4=C(C=C1C2C(O2)(CC3OC(=O)C(=C3)CCC(C4)C(=C)C)C)C(=O)OC
• InChI: 1S/C21H24O6/c1-11(2)12-5-6-13-7-14(25-19(13)22)10-21(3)18(27-21)17-9-15(20(23)24-4)16(8-12)26-17/h7,9,12,14,18H,1,5-6,8,10H2,2-4H3
• InChIKey: PPHCYWKQJLNLQQ-UHFFFAOYSA-N

Properties

• Density: 1.259g/cm³ (Cal.)
• Boiling point: 566.45°C at 760 mmHg (Cal.)
• Flash point: 296.379°C (Cal.)