5-methoxy-10-{3-methoxy-4-[(2-methylprop-2-en-1-yl)oxy]phenyl}-3-(4-methoxyphenyl)-4H,8H,9H,10H-pyrano[2,3-h]chromene-4,8-dione

• ChemBase编号: 227750
• 分子式: C31H28O8
• 平均质量: 528.54922
• 单一同位素质量: 528.17841786
• SMILES: c12c(c3C(c4cc(c(OCC(=C)C)cc4)OC)CC(=O)Oc3cc2OC)occ(c1=O)c1ccc(cc1)OC
• Canonical SMILES: COc1cc2OC(=O)CC(c2c2c1c(=O)c(co2)c1ccc(cc1)OC)c1ccc(c(c1)OC)OCC(=C)C
• InChI: InChI=1S/C31H28O8/c1-17(2)15-37-23-11-8-19(12-24(23)35-4)21-13-27(32)39-26-14-25(36-5)29-30(33)22(16-38-31(29)28(21)26)18-6-9-20(34-3)10-7-18/h6-12,14,16,21H,1,13,15H2,2-5H3
• InChIKey: NRGHZVKJJRQISM-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 5-methoxy-10-{3-methoxy-4-[(2-methylprop-2-en-1-yl)oxy]phenyl}-3-(4-methoxyphenyl)-4H,8H,9H,10H-pyrano[2,3-h]chromene-4,8-dione
• IUPAC传统名: 5-methoxy-10-{3-methoxy-4-[(2-methylprop-2-en-1-yl)oxy]phenyl}-3-(4-methoxyphenyl)-9H,10H-pyrano[2,3-h]chromene-4,8-dione

登记号

• PubChem SID: 164283660
• PubChem CID: 71754870

理论计算性质

• 质子受体: 7
• 质子供体: 0
• LogD (pH = 5.5): 5.015241
• LogD (pH = 7.4): 5.015241
• Log P: 5.015241
• 摩尔折射率: 144.0786 cm^3
• 极化性: 55.763226 Å^3
• 极化表面积: 89.52 Å^2
• 可自由旋转的化学键: 8
• 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