2-[3-(5,8-Dihydroxy-2-Isohexyl-2-Methyl-Chroman-6-Yl)-3-Oxo-Propyl]-1,4-Benzoquinone
[CAS# 18227-69-5]

Identification

• Name: 2-[3-(5,8-Dihydroxy-2-Isohexyl-2-Methyl-Chroman-6-Yl)-3-Oxo-Propyl]-1,4-Benzoquinone
• Synonyms: 2-[3-(5,8-dihydroxy-2-isohexyl-2-methyl-chroman-6-yl)-3-oxo-propyl]-1,4-benzoquinone
• Molecular Formula: C₂₅H₃₀O₆
• Molecular Weight: 426.50
• CAS Registry Number: 18227-69-5
• SMILES: CC(C)CCCC1(CCc2c(c(cc(c2O1)O)C(=O)CCC3=CC(=O)C=CC3=O)O)C
• InChI: 1S/C25H30O6/c1-15(2)5-4-11-25(3)12-10-18-23(30)19(14-22(29)24(18)31-25)21(28)8-6-16-13-17(26)7-9-20(16)27/h7,9,13-15,29-30H,4-6,8,10-12H2,1-3H3
• InChIKey: CFUHXWZFOLVVDB-UHFFFAOYSA-N

Properties

• Density: 1.203g/cm³ (Cal.)
• Boiling point: 618.161°C at 760 mmHg (Cal.)
• Flash point: 208.081°C (Cal.)
• Refractive index: 1.568 (Cal.)

References

• (1): Cardillo G. Natural Chromenes—III , Colouring matters of wars: the structure of flemingins a, b, c and homoflemingin, Tetrahedron, 1968