(7R)-4,7,15-trimethyl-7-phenyl-3,11-dioxatetracyclo[8.7.0.02,6.012,17]heptadeca-1(10),2(6),4,12,14,16-hexaene

• ChemBase编号: 185785
• 分子式: C24H22O2
• 平均质量: 342.43028
• 单一同位素质量: 342.16197994
• SMILES: c12c3c(oc4c3cc(cc4)C)CC[C@@](c1cc(o2)C)(c1ccccc1)C
• Canonical SMILES: Cc1ccc2c(c1)c1c(o2)CC[C@](c2c1oc(c2)C)(C)c1ccccc1
• InChI: InChI=1S/C24H22O2/c1-15-9-10-20-18(13-15)22-21(26-20)11-12-24(3,17-7-5-4-6-8-17)19-14-16(2)25-23(19)22/h4-10,13-14H,11-12H2,1-3H3/t24-/m1/s1
• InChIKey: JCDZFMLDAJSHDK-XMMPIXPASA-N

名称和登记号

名称

• IUPAC标准名: (7R)-4,7,15-trimethyl-7-phenyl-3,11-dioxatetracyclo[8.7.0.0^2,^6.0^1^2,^1^7]heptadeca-1(10),2(6),4,12,14,16-hexaene
• IUPAC传统名: (7R)-4,7,15-trimethyl-7-phenyl-3,11-dioxatetracyclo[8.7.0.0^2,^6.0^1^2,^1^7]heptadeca-1(10),2(6),4,12,14,16-hexaene

登记号

• PubChem SID: 164241695
• PubChem CID: 2058134

理论计算性质

• 质子受体: 0
• 质子供体: 0
• LogD (pH = 5.5): 6.045473
• LogD (pH = 7.4): 6.045473
• Log P: 6.045473
• 摩尔折射率: 115.1429 cm^3
• 极化性: 42.259083 Å^3
• 极化表面积: 26.28 Å^2
• 可自由旋转的化学键: 1
• 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