2-Hexanoyl-1,3,6,8-Tetrahydroxyanthracene-9,10-Dione
[CAS# 10254-99-6]

Identification

• Name: 2-Hexanoyl-1,3,6,8-Tetrahydroxyanthracene-9,10-Dione
• Synonyms: 2-Hexanoyl-1,3,6,8-Tetrahydroxy-Anthracene-9,10-Dione; 1,3,6,8-Tetrahydroxy-2-(1-Oxohexyl)Anthracene-9,10-Dione; 2-Caproyl-1,3,6,8-Tetrahydroxy-9,10-Anthraquinone
• Molecular Formula: C₂₀H₁₈O₇
• Molecular Weight: 370.36
• CAS Registry Number: 10254-99-6
• SMILES: C1=C(C(=C(C2=C1C(=O)C3=C(C2=O)C(=CC(=C3)O)O)O)C(=O)CCCCC)O
• InChI: 1S/C20H18O7/c1-2-3-4-5-12(22)17-14(24)8-11-16(20(17)27)19(26)15-10(18(11)25)6-9(21)7-13(15)23/h6-8,21,23-24,27H,2-5H2,1H3
• InChIKey: XIJDBHLQUYAZJI-UHFFFAOYSA-N

Properties

• Density: 1.479g/cm³ (Cal.)
• Boiling point: 584.857°C at 760 mmHg (Cal.)
• Flash point: 321.548°C (Cal.)

References

• (1): Bok et al.. Chromatin-level regulation of biosynthetic gene clusters, Nature Chemical Biology, 2009