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

• ChemBase编号: 191638
• 分子式: C31H24O10
• 平均质量: 556.51626
• 单一同位素质量: 556.13694697
• SMILES: c1(c(oc2c1cc(OC(=O)C)cc2)C)C(=O)Oc1cc2oc(c(c(=O)c2cc1)c1ccc(cc1)OC)C(=O)OCC
• Canonical SMILES: CCOC(=O)c1oc2cc(ccc2c(=O)c1c1ccc(cc1)OC)OC(=O)c1c(C)oc2c1cc(cc2)OC(=O)C
• InChI: InChI=1S/C31H24O10/c1-5-37-31(35)29-27(18-6-8-19(36-4)9-7-18)28(33)22-12-10-21(15-25(22)41-29)40-30(34)26-16(2)38-24-13-11-20(14-23(24)26)39-17(3)32/h6-15H,5H2,1-4H3
• InChIKey: PFVXKNUJJUOJCQ-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-(4-methoxyphenyl)-4-oxo-4H-chromene-2-carboxylate
• IUPAC传统名: ethyl 7-[5-(acetyloxy)-2-methyl-1-benzofuran-3-carbonyloxy]-3-(4-methoxyphenyl)-4-oxochromene-2-carboxylate

登记号

• PubChem SID: 164247548
• PubChem CID: 1415884

理论计算性质

• 质子受体: 6
• 质子供体: 0
• LogD (pH = 5.5): 5.17094
• LogD (pH = 7.4): 5.17094
• Log P: 5.17094
• 摩尔折射率: 145.9525 cm^3
• 极化性: 56.838352 Å^3
• 极化表面积: 127.57 Å^2
• 可自由旋转的化学键: 10
• 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