(2'S,7'S,15'S)-2',15'-dimethylspiro[1,3-dioxolane-2,14'-tetracyclo[8.7.0.02,7.011,15]heptadecan]-4'-ene

• ChemBase编号: 183306
• 分子式: C21H32O2
• 平均质量: 316.47758
• 单一同位素质量: 316.24023026
• SMILES: [C@@]12(C(C3C([C@@]4([C@@H](CC3)CC=CC4)C)CC2)CCC21OCCO2)C
• Canonical SMILES: C[C@]12CC=CC[C@@H]1CCC1C2CC[C@]2(C1CCC12OCCO1)C
• InChI: InChI=1S/C21H32O2/c1-19-10-4-3-5-15(19)6-7-16-17(19)8-11-20(2)18(16)9-12-21(20)22-13-14-23-21/h3-4,15-18H,5-14H2,1-2H3/t15-,16?,17?,18?,19+,20+/m1/s1
• InChIKey: LPIHDSBQLYQECR-RBQJEXAMSA-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]heptadecan]-4'-ene
• 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]heptadecan]-4'-ene

登记号

• PubChem SID: 164239216
• PubChem CID: 16395666

理论计算性质

• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): 4.9248962
• LogD (pH = 7.4): 4.9248962
• Log P: 4.9248962
• 摩尔折射率: 93.1894 cm^3
• 极化性: 36.910458 Å^3
• 极化表面积: 18.46 Å^2
• 可自由旋转的化学键: 0
• 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