5-methoxy-11,14-dimethyl-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: 192055
• 分子式: C24H18O4
• 平均质量: 370.39732
• 单一同位素质量: 370.12050906
• SMILES: c12c(c(c(o1)C)c1ccccc1)cc1c(oc(=O)c3c1ccc(c3)OC)c2C
• Canonical SMILES: COc1ccc2c(c1)c(=O)oc1c2cc2c(c3ccccc3)c(oc2c1C)C
• InChI: InChI=1S/C24H18O4/c1-13-22-18(17-10-9-16(26-3)11-19(17)24(25)28-22)12-20-21(14(2)27-23(13)20)15-7-5-4-6-8-15/h4-12H,1-3H3
• InChIKey: FWJVYQVFCRHHAT-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 5-methoxy-11,14-dimethyl-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-11,14-dimethyl-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: 164247965
• PubChem CID: 1299801

理论计算性质

• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): 5.286988
• LogD (pH = 7.4): 5.286988
• Log P: 5.286988
• 摩尔折射率: 107.5705 cm^3
• 极化性: 44.59302 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: false

分子性质

产品相关信息

• 分类: Derivatives & analogs of Natural Compounds