4,13-Dihydroxy-8,9-Bis(2-Hydroxypropyl)-7,10-Dimethoxyperylo[1,12-def]-1,3-Dioxepin-6,11-Dione
[CAS# 67533-78-2]

Identification

• Name: 4,13-Dihydroxy-8,9-Bis(2-Hydroxypropyl)-7,10-Dimethoxyperylo[1,12-def]-1,3-Dioxepin-6,11-Dione
• Synonyms: Nsc299546; Perylo(1,12-Def)-1,3-Dioxepin-6,11-Dione, 4,13-Dihydroxy-8,9-Bis(2-Hydroxypropyl)-7,10-Dimethoxy-; Neocercosporin
• Molecular Formula: C₂₉H₂₆O₁₀
• Molecular Weight: 534.52
• CAS Registry Number: 67533-78-2
• SMILES: C1=C(O)C6=C3C2=C1C(=O)C(=C(C2=C5C4=C3C(=C(O)C=C4C(=O)C(=C5CC(O)C)OC)OCO6)CC(O)C)OC
• InChI: 1S/C29H26O10/c1-10(30)5-14-20-18-12(24(34)26(14)36-3)7-16(32)28-22(18)23-19-13(8-17(33)29(23)39-9-38-28)25(35)27(37-4)15(21(19)20)6-11(2)31/h7-8,10-11,30-33H,5-6,9H2,1-4H3
• InChIKey: QSDSSSQWVNLFIG-UHFFFAOYSA-N

Properties

• Density: 1.591g/cm³ (Cal.)
• Boiling point: 905.106°C at 760 mmHg (Cal.)
• Flash point: 305.201°C (Cal.)