(2S,2'S,14'S,15'S)-2',15'-dimethyl-14'-propylspiro[oxirane-2,5'-tetracyclo[8.7.0.02,7.011,15]heptadecane]-14'-ol

• ChemBase编号: 183449
• 分子式: C23H38O2
• 平均质量: 346.54662
• 单一同位素质量: 346.28718046
• SMILES: [C@@]12(C(C3C([C@@]4(C(C[C@@]5(OC5)CC4)CC3)C)CC2)CC[C@@]1(O)CCC)C
• Canonical SMILES: CCC[C@]1(O)CCC2[C@]1(C)CCC1C2CCC2[C@]1(C)CC[C@@]1(C2)OC1
• InChI: InChI=1S/C23H38O2/c1-4-9-23(24)11-8-19-17-6-5-16-14-22(15-25-22)13-12-20(16,2)18(17)7-10-21(19,23)3/h16-19,24H,4-15H2,1-3H3/t16?,17?,18?,19?,20-,21-,22-,23-/m0/s1
• InChIKey: BDIOFUIBSDCUQC-QKKXEQPRSA-N

名称和登记号

名称

• IUPAC标准名: (2S,2'S,14'S,15'S)-2',15'-dimethyl-14'-propylspiro[oxirane-2,5'-tetracyclo[8.7.0.0^2,^7.0^1^1,^1^5]heptadecane]-14'-ol
• IUPAC传统名: (2S,2'S,14'S,15'S)-2',15'-dimethyl-14'-propylspiro[oxirane-2,5'-tetracyclo[8.7.0.0^2,^7.0^1^1,^1^5]heptadecane]-14'-ol

登记号

• PubChem SID: 164239359
• PubChem CID: 16395709

理论计算性质

• 质子受体: 2
• 质子供体: 1
• LogD (pH = 5.5): 4.846794
• LogD (pH = 7.4): 4.8467946
• Log P: 4.8467946
• 摩尔折射率: 101.0662 cm^3
• 极化性: 40.763474 Å^3
• 极化表面积: 32.76 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: Rare Derivatives of Natural Compounds