(2Z,4E)-8-[(3aS,7aS)-7alpha-Methyl-1,5-Dioxo-2,3,3a,4,6,7-Hexahydroinden-4-Yl]-2,8-Dihydroxy-5-Methyl-6-Oxoocta-2,4-Dienoic Acid
[CAS# 108050-25-5]

Identification

• Name: (2Z,4E)-8-[(3aS,7aS)-7alpha-Methyl-1,5-Dioxo-2,3,3a,4,6,7-Hexahydroinden-4-Yl]-2,8-Dihydroxy-5-Methyl-6-Oxoocta-2,4-Dienoic Acid
• Synonyms: (2Z,4E)-8-[(3As,7As)-7A-Methyl-1,5-Dioxo-2,3,3A,4,6,7-Hexahydroinden-4-Yl]-2,8-Dihydroxy-5-Methyl-6-Oxo-Octa-2,4-Dienoic Acid; (2Z,4E)-8-[(3As,7As)-1,5-Diketo-7A-Methyl-2,3,3A,4,6,7-Hexahydroinden-4-Yl]-2,8-Dihydroxy-6-Keto-5-Methyl-Octa-2,4-Dienoic Acid; 3,7-Dtdada
• Molecular Formula: C₁₉H₂₄O₇
• Molecular Weight: 364.39
• CAS Registry Number: 108050-25-5
• SMILES: [C@H]12C(C(CC(C(=C\C=C(C(=O)O)/O)\C)=O)O)C(CC[C@@]1(C(CC2)=O)C)=O
• InChI: 1S/C19H24O7/c1-10(3-5-13(21)18(25)26)14(22)9-15(23)17-11-4-6-16(24)19(11,2)8-7-12(17)20/h3,5,11,15,17,21,23H,4,6-9H2,1-2H3,(H,25,26)/b10-3+,13-5-/t11-,15?,17?,19-/m0/s1
• InChIKey: UYGPFFZKHPIPIQ-ZWXYVKKQSA-N

Properties

• Density: 1.334g/cm³ (Cal.)
• Boiling point: 627.983°C at 760 mmHg (Cal.)
• Flash point: 347.602°C (Cal.)