(1'S,2'S,7'S,10'R,11'S,15'S)-2',15'-dimethyldispiro[1,3-dioxolane-2,5'-tetracyclo[8.7.0.02,7.011,15]heptadecane-14',2''-[1,3]dioxolane]

• ChemBase编号: 210158
• 分子式: C23H36O4
• 平均质量: 376.52954
• 单一同位素质量: 376.26135963
• SMILES: [C@@]12([C@H]([C@H]3[C@@H]([C@@]4([C@H](CC5(OCCO5)CC4)CC3)C)CC2)CCC21OCCO2)C
• Canonical SMILES: C[C@]12CCC3(C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CCC12OCCO1)C)OCCO3
• InChI: InChI=1S/C23H36O4/c1-20-9-10-22(24-11-12-25-22)15-16(20)3-4-17-18(20)5-7-21(2)19(17)6-8-23(21)26-13-14-27-23/h16-19H,3-15H2,1-2H3/t16-,17+,18-,19-,20-,21-/m0/s1
• InChIKey: MNFVYVHTLBDTIR-STHVQZNPSA-N

名称和登记号

名称

• IUPAC标准名: (1'S,2'S,7'S,10'R,11'S,15'S)-2',15'-dimethyldispiro[1,3-dioxolane-2,5'-tetracyclo[8.7.0.0^2,^7.0^1^1,^1^5]heptadecane-14',2''-[1,3]dioxolane]
• IUPAC传统名: (1'S,2'S,7'S,10'R,11'S,15'S)-2',15'-dimethyldispiro[1,3-dioxolane-2,5'-tetracyclo[8.7.0.0^2,^7.0^1^1,^1^5]heptadecane-14',2''-[1,3]dioxolane]

登记号

• PubChem SID: 164266068
• PubChem CID: 11326371

理论计算性质

• 质子受体: 4
• 质子供体: 0
• LogD (pH = 5.5): 4.3677406
• LogD (pH = 7.4): 4.3677406
• Log P: 4.3677406
• 摩尔折射率: 102.9638 cm^3
• 极化性: 41.4921 Å^3
• 极化表面积: 36.92 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