(7R)-7-(2-methoxyphenyl)-4,7,15-trimethyl-3,11-dioxatetracyclo[8.7.0.02,6.012,17]heptadeca-1(10),2(6),4,12,14,16-hexaene

• ChemBase编号: 185671
• 分子式: C25H24O3
• 平均质量: 372.45626
• 单一同位素质量: 372.17254463
• SMILES: c12c3c(oc4c3cc(cc4)C)CC[C@@](c1cc(o2)C)(c1c(OC)cccc1)C
• Canonical SMILES: COc1ccccc1[C@@]1(C)CCc2c(c3c1cc(o3)C)c1c(o2)ccc(c1)C
• InChI: InChI=1S/C25H24O3/c1-15-9-10-20-17(13-15)23-22(28-20)11-12-25(3,19-14-16(2)27-24(19)23)18-7-5-6-8-21(18)26-4/h5-10,13-14H,11-12H2,1-4H3/t25-/m1/s1
• InChIKey: MLLIWZVASHEDQP-RUZDIDTESA-N

名称和登记号

名称

• IUPAC标准名: (7R)-7-(2-methoxyphenyl)-4,7,15-trimethyl-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)-4,7,15-trimethyl-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: 164241581
• PubChem CID: 7054861

理论计算性质

• 质子受体: 1
• 质子供体: 0
• LogD (pH = 5.5): 5.887802
• LogD (pH = 7.4): 5.887802
• Log P: 5.887802
• 摩尔折射率: 121.6061 cm^3
• 极化性: 44.72684 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