5-methoxy-11-methyl-15-(naphthalen-2-yl)-9,13-dioxatetracyclo[8.7.0.02,7.012,16]heptadeca-1(17),2,4,6,10,12(16),14-heptaen-8-one

• ChemBase编号: 194739
• 分子式: C27H18O4
• 平均质量: 406.42942
• 单一同位素质量: 406.12050906
• SMILES: c12c(c3c(c(=O)o1)cc(cc3)OC)cc1c(c2C)occ1c1cc2c(cc1)cccc2
• Canonical SMILES: COc1ccc2c(c1)c(=O)oc1c2cc2c(coc2c1C)c1ccc2c(c1)cccc2
• InChI: InChI=1S/C27H18O4/c1-15-25-22(24(14-30-25)18-8-7-16-5-3-4-6-17(16)11-18)13-21-20-10-9-19(29-2)12-23(20)27(28)31-26(15)21/h3-14H,1-2H3
• InChIKey: ZKZYDUNHNVLVIK-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 5-methoxy-11-methyl-15-(naphthalen-2-yl)-9,13-dioxatetracyclo[8.7.0.0^2,^7.0^1^2,^1^6]heptadeca-1(17),2,4,6,10,12(16),14-heptaen-8-one
• IUPAC传统名: 5-methoxy-11-methyl-15-(naphthalen-2-yl)-9,13-dioxatetracyclo[8.7.0.0^2,^7.0^1^2,^1^6]heptadeca-1(17),2,4,6,10,12(16),14-heptaen-8-one

登记号

• PubChem SID: 164250649
• PubChem CID: 1748490

理论计算性质

• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): 6.076903
• LogD (pH = 7.4): 6.076903
• Log P: 6.076903
• 摩尔折射率: 118.871 cm^3
• 极化性: 50.445053 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