4-({4-[(2,4-Dihydroxy-3,5,6-trimethylbenzoyl)oxy]-2-methoxy-3,5,6-trimethylbenzoyl}oxy)-2-methoxy-3,5,6-trimethylbenzoic acid
[CAS# 86413-60-7]

Identification

• Name: 4-({4-[(2,4-Dihydroxy-3,5,6-trimethylbenzoyl)oxy]-2-methoxy-3,5,6-trimethylbenzoyl}oxy)-2-methoxy-3,5,6-trimethylbenzoic acid
• Synonyms: Benzoic acid, 4-((2,4-dihydroxy-3,5,6-trimethylbenzoyl)oxy)-2-methoxy-3,5,6-trimethyl-, 4-carboxy-3-methoxy-2,5,6-trimethylphenyl ester; Thielavin C; Thielavin-C
• Molecular Formula: C₃₂H₃₆O₁₀
• Molecular Weight: 580.62
• CAS Registry Number: 86413-60-7
• SMILES: O=C(Oc1c(c(c(c(OC)c1C)C(=O)Oc2c(c(c(C(=O)O)c(OC)c2C)C)C)C)C)c3c(c(c(O)c(c3O)C)C)C
• InChI: 1S/C32H36O10/c1-12-15(4)24(33)18(7)25(34)21(12)31(37)41-27-17(6)14(3)23(29(40-11)20(27)9)32(38)42-26-16(5)13(2)22(30(35)36)28(39-10)19(26)8/h33-34H,1-11H3,(H,35,36)
• InChIKey: SXEAWTIIAHALTL-UHFFFAOYSA-N

Properties

• Density: 1.262g/cm³ (Cal.)
• Boiling point: 809.467°C at 760 mmHg (Cal.)
• Flash point: 259.244°C (Cal.)