(2R,15S)-14-cyano-2,15-dimethyl-14-[(trimethylsilyl)oxy]tetracyclo[8.7.0.02,7.011,15]heptadec-7-en-5-yl acetate

• ChemBase编号: 186325
• 分子式: C25H39NO3Si
• 平均质量: 429.66756
• 单一同位素质量: 429.26992065
• SMILES: C1([C@@]2(C(C3C([C@@]4(C(=CC3)CC(OC(=O)C)CC4)C)CC2)CC1)C)(C#N)O[Si](C)(C)C
• Canonical SMILES: N#CC1(CCC2[C@]1(C)CCC1C2CC=C2[C@]1(C)CCC(C2)OC(=O)C)O[Si](C)(C)C
• InChI: InChI=1S/C25H39NO3Si/c1-17(27)28-19-9-12-23(2)18(15-19)7-8-20-21(23)10-13-24(3)22(20)11-14-25(24,16-26)29-30(4,5)6/h7,19-22H,8-15H2,1-6H3/t19?,20?,21?,22?,23-,24-,25?/m0/s1
• InChIKey: VSNTYDAJMLTELQ-FFDZAZCNSA-N

名称和登记号

名称

• IUPAC标准名: (2R,15S)-14-cyano-2,15-dimethyl-14-[(trimethylsilyl)oxy]tetracyclo[8.7.0.0^2,^7.0^1^1,^1^5]heptadec-7-en-5-yl acetate
• IUPAC传统名: (2R,15S)-14-cyano-2,15-dimethyl-14-[(trimethylsilyl)oxy]tetracyclo[8.7.0.0^2,^7.0^1^1,^1^5]heptadec-7-en-5-yl acetate

登记号

• PubChem SID: 164242235
• PubChem CID: 16396551

理论计算性质

• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): 4.6162
• LogD (pH = 7.4): 4.6162
• Log P: 4.6162
• 摩尔折射率: 115.8623 cm^3
• 极化性: 47.84909 Å^3
• 极化表面积: 59.32 Å^2
• 可自由旋转的化学键: 4
• 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