Thielavin B
[CAS# 71950-67-9]

Identification

• Name: Thielavin B
• Synonyms: 4-[4-(2,4-Dihydroxy-3,6-Dimethyl-Benzoyl)Oxy-2-Methoxy-3,5,6-Trimethyl-Benzoyl]Oxy-2-Methoxy-3,5,6-Trimethyl-Benzoic Acid; 4-[[4-[(2,4-Dihydroxy-3,6-Dimethylphenyl)-Oxomethoxy]-2-Methoxy-3,5,6-Trimethylphenyl]-Oxomethoxy]-2-Methoxy-3,5,6-Trimethylbenzoic Acid; 4-[4-(2,4-Dihydroxy-3,6-Dimethyl-Phenyl)Carbonyloxy-2-Methoxy-3,5,6-Trimethyl-Phenyl]Carbonyloxy-2-Methoxy-3,5,6-Trimethyl-Benzoic Acid
• Molecular Formula: C₃₁H₃₄O₁₀
• Molecular Weight: 566.60
• CAS Registry Number: 71950-67-9
• SMILES: C1=C(O)C(=C(O)C(=C1C)C(OC2=C(C(=C(C(=C2C)C)C(OC3=C(C(=C(C(=C3C)C)C(=O)O)OC)C)=O)OC)C)=O)C
• InChI: 1S/C31H34O10/c1-12-11-20(32)17(6)24(33)21(12)30(36)40-26-16(5)14(3)23(28(39-10)19(26)8)31(37)41-25-15(4)13(2)22(29(34)35)27(38-9)18(25)7/h11,32-33H,1-10H3,(H,34,35)
• InChIKey: UULGWGARYDGVBM-UHFFFAOYSA-N

Properties

• Density: 1.277g/cm³ (Cal.)
• Boiling point: 807.54°C at 760 mmHg (Cal.)
• Flash point: 261.053°C (Cal.)