(R)-(3,4-dimethoxyphenyl)[(3R,4R)-4-[(3,4-dimethoxyphenyl)methyl]-5-oxooxolan-3-yl]methyl acetate

• ChemBase编号: 304232
• 分子式: C24H28O8
• 平均质量: 444.47432
• 单一同位素质量: 444.17841786
• SMILES: c1(c(ccc(c1)C[C@@H]1[C@H](COC1=O)[C@H](c1ccc(c(c1)OC)OC)OC(=O)C)OC)OC
• Canonical SMILES: COc1ccc(cc1OC)C[C@H]1C(=O)OC[C@@H]1[C@H](c1ccc(c(c1)OC)OC)OC(=O)C
• InChI: InChI=1S/C24H28O8/c1-14(25)32-23(16-7-9-20(28-3)22(12-16)30-5)18-13-31-24(26)17(18)10-15-6-8-19(27-2)21(11-15)29-4/h6-9,11-12,17-18,23H,10,13H2,1-5H3/t17-,18+,23+/m1/s1
• InChIKey: CJBJCEARMFPRTA-STSQHVNTSA-N

名称和登记号

名称

• IUPAC标准名: (R)-(3,4-dimethoxyphenyl)[(3R,4R)-4-[(3,4-dimethoxyphenyl)methyl]-5-oxooxolan-3-yl]methyl acetate
• IUPAC传统名: (R)-(3,4-dimethoxyphenyl)[(3R,4R)-4-[(3,4-dimethoxyphenyl)methyl]-5-oxooxolan-3-yl]methyl acetate
• 别名: NPD; 5-Acetoxymatairesinol dimethyl ether

登记号

• CAS号: 74892-45-8

理论计算性质

• 质子受体: 6
• 质子供体: 0
• LogD (pH = 5.5): 2.8354416
• LogD (pH = 7.4): 2.8354416
• Log P: 2.8354416
• 摩尔折射率: 115.1672 cm^3
• 极化性: 45.575436 Å^3
• 极化表面积: 89.52 Å^2
• 可自由旋转的化学键: 10
• 里宾斯基五规则: true

分子性质

理化性质

• 外观: Powder