5-methoxy-11-methyl-15-phenyl-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: 193281
• 分子式: C23H16O4
• 平均质量: 356.37074
• 单一同位素质量: 356.10485899
• SMILES: c12c(c3c(c(=O)o1)cc(cc3)OC)cc1c(c2C)occ1c1ccccc1
• Canonical SMILES: COc1ccc2c(c1)c(=O)oc1c2cc2c(coc2c1C)c1ccccc1
• InChI: InChI=1S/C23H16O4/c1-13-21-18(20(12-26-21)14-6-4-3-5-7-14)11-17-16-9-8-15(25-2)10-19(16)23(24)27-22(13)17/h3-12H,1-2H3
• InChIKey: DVXZRYVLUBMGHN-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 5-methoxy-11-methyl-15-phenyl-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-phenyl-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: 164249191
• PubChem CID: 1792961

理论计算性质

• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): 5.087426
• LogD (pH = 7.4): 5.087426
• Log P: 5.087426
• 摩尔折射率: 102.4208 cm^3
• 极化性: 42.829758 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