5-methoxy-15-(4-methoxyphenyl)-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: 192529
• 分子式: C23H16O5
• 平均质量: 372.37014
• 单一同位素质量: 372.09977361
• SMILES: c1(=O)c2c(c3c(o1)cc1c(c(co1)c1ccc(cc1)OC)c3)ccc(c2)OC
• Canonical SMILES: COc1ccc(cc1)c1coc2c1cc1c(c2)oc(=O)c2c1ccc(c2)OC
• InChI: InChI=1S/C23H16O5/c1-25-14-5-3-13(4-6-14)20-12-27-21-11-22-17(10-18(20)21)16-8-7-15(26-2)9-19(16)23(24)28-22/h3-12H,1-2H3
• InChIKey: IJEKXFHVLVHLRN-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 5-methoxy-15-(4-methoxyphenyl)-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-15-(4-methoxyphenyl)-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: 164248439
• PubChem CID: 1776740

理论计算性质

• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): 4.4163337
• LogD (pH = 7.4): 4.4163337
• Log P: 4.4163337
• 摩尔折射率: 103.8428 cm^3
• 极化性: 43.532707 Å^3
• 极化表面积: 57.9 Å^2
• 可自由旋转的化学键: 3
• 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