(7R)-15-chloro-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: 185860
• 分子式: C24H21ClO3
• 平均质量: 392.87474
• 单一同位素质量: 392.11792221
• SMILES: c12c3c(oc4c3cc(cc4)Cl)CC[C@@](c1cc(o2)C)(c1c(OC)cccc1)C
• Canonical SMILES: COc1ccccc1[C@@]1(C)CCc2c(c3c1cc(o3)C)c1c(o2)ccc(c1)Cl
• InChI: InChI=1S/C24H21ClO3/c1-14-12-18-23(27-14)22-16-13-15(25)8-9-19(16)28-21(22)10-11-24(18,2)17-6-4-5-7-20(17)26-3/h4-9,12-13H,10-11H2,1-3H3/t24-/m1/s1
• InChIKey: KNKJGTZJXYKLPX-XMMPIXPASA-N

名称和登记号

名称

• IUPAC标准名: (7R)-15-chloro-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)-15-chloro-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: 164241770
• PubChem CID: 1732845

理论计算性质

• 质子受体: 1
• 质子供体: 0
• LogD (pH = 5.5): 5.9784255
• LogD (pH = 7.4): 5.9784255
• Log P: 5.9784255
• 摩尔折射率: 121.3697 cm^3
• 极化性: 44.772278 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: Derivatives & analogs of Natural Compounds