ethyl 7-[5-(acetyloxy)-2-methyl-1-benzofuran-3-carbonyloxy]-3-(3,4-dimethoxyphenyl)-4-oxo-4H-chromene-2-carboxylate

• ChemBase编号: 191444
• 分子式: C32H26O11
• 平均质量: 586.54224
• 单一同位素质量: 586.14751165
• SMILES: c1(c(oc2c1cc(OC(=O)C)cc2)C)C(=O)Oc1cc2oc(c(c(=O)c2cc1)c1cc(c(cc1)OC)OC)C(=O)OCC
• Canonical SMILES: CCOC(=O)c1oc2cc(ccc2c(=O)c1c1ccc(c(c1)OC)OC)OC(=O)c1c(C)oc2c1cc(cc2)OC(=O)C
• InChI: InChI=1S/C32H26O11/c1-6-39-32(36)30-28(18-7-11-24(37-4)26(13-18)38-5)29(34)21-10-8-20(15-25(21)43-30)42-31(35)27-16(2)40-23-12-9-19(14-22(23)27)41-17(3)33/h7-15H,6H2,1-5H3
• InChIKey: HEXVBODJULVXMG-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: ethyl 7-[5-(acetyloxy)-2-methyl-1-benzofuran-3-carbonyloxy]-3-(3,4-dimethoxyphenyl)-4-oxo-4H-chromene-2-carboxylate
• IUPAC传统名: ethyl 7-[5-(acetyloxy)-2-methyl-1-benzofuran-3-carbonyloxy]-3-(3,4-dimethoxyphenyl)-4-oxochromene-2-carboxylate

登记号

• PubChem SID: 164247354
• PubChem CID: 1426514

理论计算性质

• 质子受体: 7
• 质子供体: 0
• LogD (pH = 5.5): 5.013269
• LogD (pH = 7.4): 5.013269
• Log P: 5.013269
• 摩尔折射率: 152.4157 cm^3
• 极化性: 59.377594 Å^3
• 极化表面积: 136.8 Å^2
• 可自由旋转的化学键: 11
• 里宾斯基五规则: false

分子性质

产品相关信息

• 分类: Derivatives & analogs of Natural Compounds