[(2S,3R,4R)-2-(3,4-dimethoxyphenyl)-4-[(3,4-dimethoxyphenyl)methyl]oxolan-3-yl]methanol

• ChemBase编号: 304280
• 分子式: C22H28O6
• 平均质量: 388.45412
• 单一同位素质量: 388.18858862
• SMILES: [C@@H]1(Cc2ccc(c(c2)OC)OC)[C@@H]([C@H](OC1)c1ccc(c(c1)OC)OC)CO
• Canonical SMILES: OC[C@H]1[C@H](CO[C@@H]1c1ccc(c(c1)OC)OC)Cc1ccc(c(c1)OC)OC
• InChI: InChI=1S/C22H28O6/c1-24-18-7-5-14(10-20(18)26-3)9-16-13-28-22(17(16)12-23)15-6-8-19(25-2)21(11-15)27-4/h5-8,10-11,16-17,22-23H,9,12-13H2,1-4H3/t16-,17-,22+/m0/s1
• InChIKey: AYWPHVUFQNWITL-PNLZDCPESA-N

名称和登记号

名称

• IUPAC标准名: [(2S,3R,4R)-2-(3,4-dimethoxyphenyl)-4-[(3,4-dimethoxyphenyl)methyl]oxolan-3-yl]methanol
• IUPAC传统名: [(2S,3R,4R)-2-(3,4-dimethoxyphenyl)-4-[(3,4-dimethoxyphenyl)methyl]oxolan-3-yl]methanol
• 别名: Lariciresinol dimethyl ether

登记号

• CAS号: 67560-68-3

理论计算性质

• Acid pKa: 15.36458
• 质子受体: 6
• 质子供体: 1
• LogD (pH = 5.5): 2.5970984
• LogD (pH = 7.4): 2.5970984
• Log P: 2.5970984
• 摩尔折射率: 106.1582 cm^3
• 极化性: 41.55541 Å^3
• 极化表面积: 66.38 Å^2
• 可自由旋转的化学键: 8
• 里宾斯基五规则: true

分子性质

理化性质

• 外观: Oil

产品相关信息

• 纯度: 97.5