(7R)-7-(2-methoxyphenyl)-4,7-dimethyl-3,11-dioxatetracyclo[8.7.0.02,6.012,17]heptadeca-1(10),2(6),4,12,14,16-hexaene

• ChemBase编号: 185767
• 分子式: C24H22O3
• 平均质量: 358.42968
• 单一同位素质量: 358.15689456
• SMILES: c12c([C@@](c3c(OC)cccc3)(CCc3c1c1c(o3)cccc1)C)cc(o2)C
• Canonical SMILES: COc1ccccc1[C@@]1(C)CCc2c(c3c1cc(o3)C)c1c(o2)cccc1
• InChI: InChI=1S/C24H22O3/c1-15-14-18-23(26-15)22-16-8-4-6-10-19(16)27-21(22)12-13-24(18,2)17-9-5-7-11-20(17)25-3/h4-11,14H,12-13H2,1-3H3/t24-/m1/s1
• InChIKey: XDSBECIFXWWDPR-XMMPIXPASA-N

名称和登记号

名称

• IUPAC标准名: (7R)-7-(2-methoxyphenyl)-4,7-dimethyl-3,11-dioxatetracyclo[8.7.0.0^2,^6.0^1^2,^1^7]heptadeca-1(10),2(6),4,12,14,16-hexaene
• IUPAC传统名: (7R)-7-(2-methoxyphenyl)-4,7-dimethyl-3,11-dioxatetracyclo[8.7.0.0^2,^6.0^1^2,^1^7]heptadeca-1(10),2(6),4,12,14,16-hexaene

登记号

• PubChem SID: 164241677
• PubChem CID: 1118050

理论计算性质

• 质子受体: 1
• 质子供体: 0
• LogD (pH = 5.5): 5.3743806
• LogD (pH = 7.4): 5.3743806
• Log P: 5.3743806
• 摩尔折射率: 116.5649 cm^3
• 极化性: 42.963085 Å^3
• 极化表面积: 35.51 Å^2
• 可自由旋转的化学键: 2
• 里宾斯基五规则: false

分子性质

产品相关信息

• 分类: Rare Derivatives of Natural Compounds