(2'S,7'S,15'S)-2',15'-dimethylspiro[1,3-dioxolane-2,14'-tetracyclo[8.7.0.02,7.011,15]heptadecane]-5'-yl acetate

• ChemBase编号: 184665
• 分子式: C23H36O4
• 平均质量: 376.52954
• 单一同位素质量: 376.26135963
• SMILES: [C@@]12(C(C3C([C@@]4([C@H](CC(OC(=O)C)CC4)CC3)C)CC2)CCC21OCCO2)C
• Canonical SMILES: CC(=O)OC1CC[C@]2([C@H](C1)CCC1C2CC[C@]2(C1CCC12OCCO1)C)C
• InChI: InChI=1S/C23H36O4/c1-15(24)27-17-6-9-21(2)16(14-17)4-5-18-19(21)7-10-22(3)20(18)8-11-23(22)25-12-13-26-23/h16-20H,4-14H2,1-3H3/t16-,17?,18?,19?,20?,21-,22-/m0/s1
• InChIKey: DPBGWNOQXKBDCB-RQCZVXGBSA-N

名称和登记号

名称

• IUPAC标准名: (2'S,7'S,15'S)-2',15'-dimethylspiro[1,3-dioxolane-2,14'-tetracyclo[8.7.0.0^2,^7.0^1^1,^1^5]heptadecane]-5'-yl acetate
• IUPAC传统名: (2'S,7'S,15'S)-2',15'-dimethylspiro[1,3-dioxolane-2,14'-tetracyclo[8.7.0.0^2,^7.0^1^1,^1^5]heptadecane]-5'-yl acetate

登记号

• PubChem SID: 164240575
• PubChem CID: 16396047

理论计算性质

• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): 4.3412247
• LogD (pH = 7.4): 4.3412247
• Log P: 4.3412247
• 摩尔折射率: 102.8938 cm^3
• 极化性: 41.59988 Å^3
• 极化表面积: 44.76 Å^2
• 可自由旋转的化学键: 2
• 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