5-methoxy-14-methyl-15-phenyl-9,13-dioxatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,11,14,16-heptaen-8-one

• ChemBase编号: 191654
• 分子式: C23H16O4
• 平均质量: 356.37074
• 单一同位素质量: 356.10485899
• SMILES: c12c(c(oc1cc1c(c3c(c(=O)o1)cc(cc3)OC)c2)C)c1ccccc1
• Canonical SMILES: COc1ccc2c(c1)c(=O)oc1c2cc2c(c1)oc(c2c1ccccc1)C
• InChI: InChI=1S/C23H16O4/c1-13-22(14-6-4-3-5-7-14)19-11-17-16-9-8-15(25-2)10-18(16)23(24)27-20(17)12-21(19)26-13/h3-12H,1-2H3
• InChIKey: ZWXOKESCABMIJS-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 5-methoxy-14-methyl-15-phenyl-9,13-dioxatetracyclo[8.7.0.0^2,^7.0^1^2,^1^6]heptadeca-1(10),2,4,6,11,14,16-heptaen-8-one
• IUPAC传统名: 5-methoxy-14-methyl-15-phenyl-9,13-dioxatetracyclo[8.7.0.0^2,^7.0^1^2,^1^6]heptadeca-1(10),2,4,6,11,14,16-heptaen-8-one

登记号

• PubChem SID: 164247564
• PubChem CID: 3710656

理论计算性质

• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): 4.7735662
• LogD (pH = 7.4): 4.7735662
• Log P: 4.7735662
• 摩尔折射率: 102.5293 cm^3
• 极化性: 42.827305 Å^3
• 极化表面积: 48.67 Å^2
• 可自由旋转的化学键: 2
• 里宾斯基五规则: true

分子性质

产品相关信息

• 分类: Derivatives & analogs of Natural Compounds