梭孢壳素A
[CAS# 71950-66-8]

基本信息

• 产品名称: 梭孢壳素A
• 英文名: Thielavin A
• 别名: 4-[4-(2,4-Dihydroxy-3,6-Dimethyl-Benzoyl)Oxy-2-Hydroxy-3,5,6-Trimethyl-Benzoyl]Oxy-2-Hydroxy-3,5,6-Trimethyl-Benzoic Acid; 4-[[4-[(2,4-Dihydroxy-3,6-Dimethylphenyl)-Oxomethoxy]-2-Hydroxy-3,5,6-Trimethylphenyl]-Oxomethoxy]-2-Hydroxy-3,5,6-Trimethylbenzoic Acid; 4-[4-(2,4-Dihydroxy-3,6-Dimethyl-Phenyl)Carbonyloxy-2-Hydroxy-3,5,6-Trimethyl-Phenyl]Carbonyloxy-2-Hydroxy-3,5,6-Trimethyl-Benzoic Acid
• 分子式: C₂₉H₃₀O₁₀
• 分子量: 538.55
• CAS 登录号: 71950-66-8
• 分子行输入简码 SMILES: C1=C(O)C(=C(C(=C1C)C(OC3=C(C(=C(C(OC2=C(C(=C(C(=C2C)C)C(=O)O)O)C)=O)C(=C3C)C)O)C)=O)O)C
• 国际化学标识码 InChI: 1S/C29H30O10/c1-10-9-18(30)15(6)22(31)19(10)28(36)38-26-14(5)12(3)21(24(33)17(26)8)29(37)39-25-13(4)11(2)20(27(34)35)23(32)16(25)7/h9,30-33H,1-8H3,(H,34,35)
• 国际化学标识检索码 InChIKey: MGGMNKJGDSNTKZ-UHFFFAOYSA-N

物理化学性质

• 密度: 1.371g/cm³ （计算值）
• 沸点: 849.97°C at 760 mmHg （计算值）
• 闪点: 281.008°C （计算值）

参考文献

• (1): S. Sakemi, . Thievalins as ...... Inhibitors., J. Antibiotics, v.5, p.941 (2002)