Plumericin
[CAS# 77-16-7]

Identification

• Name: Plumericin
• Synonyms: 2H,4Ah-1,4,5-Trioxadicyclopent(A,Hi)Indene-7-Carboxylic Acid, 3-Ethylidene-3,3A,7A,9B-Tetrahydro-2-Oxo-, Methyl Ester, (3As-(3E,3A.Alpha.,4A.Beta.,7A.Beta.,9Ar*,9B.Beta.))-; 2H,4Ah-1,4,5-Trioxadicyclopent(A,Hi)Indene-7-Carboxylic Acid, 3-Ethylidene-3,3A,7A,9B-Tetrahydro-2-Oxo-, Methyl Ester, (3As-(3E,3Aalpha,4Abeta,7Abeta,9Ar*,9Bbeta))-; Nsc 112152
• Molecular Formula: C₁₅H₁₄O₆
• Molecular Weight: 290.27
• CAS Registry Number: 77-16-7
• SMILES: [C@]234[C@@H]1[C@@H](C(=CO[C@@H]1O[C@H]2\C(=C/C)C(O3)=O)C(=O)OC)C=C4
• InChI: 1S/C15H14O6/c1-3-7-11-15(21-13(7)17)5-4-8-9(12(16)18-2)6-19-14(20-11)10(8)15/h3-6,8,10-11,14H,1-2H3/b7-3+/t8-,10-,11+,14-,15+/m1/s1
• InChIKey: VFXXNAVZODKBIW-JKXVGBJFSA-N

Properties

• Density: 1.4±0.1g/cm³ (Cal.)
• Boiling point: 510.6±50.0°C at 760 mmHg (Cal.)
• Flash point: 230.5±30.2°C (Cal.)