decyl (1S,2R,5S,10S,11S,14S,15R)-2,15-dimethyl-14-octyltetracyclo[8.7.0.02,7.011,15]heptadec-7-en-5-yl carbonate

• ChemBase编号: 208293
• 分子式: C38H66O3
• 平均质量: 570.92884
• 单一同位素质量: 570.50119597
• SMILES: [C@@]12(C(=CC[C@@H]3[C@@H]1CC[C@]1([C@H]3CC[C@@H]1CCCCCCCC)C)C[C@@H](OC(=O)OCCCCCCCCCC)CC2)C
• Canonical SMILES: CCCCCCCCCCOC(=O)O[C@H]1CC[C@]2(C(=CC[C@@H]3[C@@H]2CC[C@]2([C@H]3CC[C@@H]2CCCCCCCC)C)C1)C
• InChI: InChI=1S/C38H66O3/c1-5-7-9-11-13-14-16-18-28-40-36(39)41-32-24-26-38(4)31(29-32)20-22-33-34-23-21-30(19-17-15-12-10-8-6-2)37(34,3)27-25-35(33)38/h20,30,32-35H,5-19,21-29H2,1-4H3/t30-,32-,33-,34-,35-,37+,38-/m0/s1
• InChIKey: OWFITFPJEGOCHV-ANEPNXGLSA-N

名称和登记号

名称

• IUPAC标准名: decyl (1S,2R,5S,10S,11S,14S,15R)-2,15-dimethyl-14-octyltetracyclo[8.7.0.0^2,^7.0^1^1,^1^5]heptadec-7-en-5-yl carbonate
• IUPAC传统名: decyl (1S,2R,5S,10S,11S,14S,15R)-2,15-dimethyl-14-octyltetracyclo[8.7.0.0^2,^7.0^1^1,^1^5]heptadec-7-en-5-yl carbonate

登记号

• PubChem SID: 164264203
• PubChem CID: 16402178

理论计算性质

• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): 12.479715
• LogD (pH = 7.4): 12.479715
• Log P: 12.479715
• 摩尔折射率: 172.976 cm^3
• 极化性: 69.05561 Å^3
• 极化表面积: 35.53 Å^2
• 可自由旋转的化学键: 19
• 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