1-[3,10-Dihydroxy-12-[2-(4-Hydroxybenzoyl)Oxypropyl]-2,6,7,11-Tetramethoxy-4,9-Dioxoperylen-1-Yl]Propan-2-Yl 4-Hydroxybenzoate
[CAS# 124857-59-6]

Identification

• Name: 1-[3,10-Dihydroxy-12-[2-(4-Hydroxybenzoyl)Oxypropyl]-2,6,7,11-Tetramethoxy-4,9-Dioxoperylen-1-Yl]Propan-2-Yl 4-Hydroxybenzoate
• Synonyms: [2-[3,10-Dihydroxy-12-[2-(4-Hydroxybenzoyl)Oxypropyl]-2,6,7,11-Tetramethoxy-4,9-Dioxo-Perylen-1-Yl]-1-Methyl-Ethyl] 4-Hydroxybenzoate; 4-Hydroxybenzoic Acid [2-[3,10-Dihydroxy-12-[2-[(4-Hydroxyphenyl)-Oxomethoxy]Propyl]-2,6,7,11-Tetramethoxy-4,9-Dioxo-1-Perylenyl]-1-Methylethyl] Ester; 4-Hydroxybenzoic Acid [2-[3,10-Dihydroxy-12-[2-(4-Hydroxybenzoyl)Oxypropyl]-4,9-Diketo-2,6,7,11-Tetramethoxy-Perylen-1-Yl]-1-Methyl-Ethyl] Ester
• Molecular Formula: C₄₄H₃₈O₁₄
• Molecular Weight: 790.78
• CAS Registry Number: 124857-59-6
• SMILES: C7=C(C(OC(CC4=C3C2=C(CC(OC(=O)C1=CC=C(O)C=C1)C)C(=C(O)C6=C2C(=C5C3=C(C(=C4OC)O)C(=O)C=C5OC)C(=CC6=O)OC)OC)C)=O)C=CC(=C7)O
• InChI: 1S/C44H38O14/c1-19(57-43(51)21-7-11-23(45)12-8-21)15-25-31-32-26(16-20(2)58-44(52)22-9-13-24(46)14-10-22)42(56-6)40(50)34-28(48)18-30(54-4)36(38(32)34)35-29(53-3)17-27(47)33(37(31)35)39(49)41(25)55-5/h7-14,17-20,45-46,49-50H,15-16H2,1-6H3
• InChIKey: HSJXAUQPKRJJOU-UHFFFAOYSA-N

Properties

• Density: 1.514g/cm³ (Cal.)
• Boiling point: 1068.975°C at 760 mmHg (Cal.)
• Flash point: 326.331°C (Cal.)