(1''R,2''S,3'R,10''S,15''S)-2'',15''-dimethyldispiro[bis([1,4]dioxolane)-2,2':3',14''-tetracyclo[8.7.0.02,7.011,15]heptadecane]-5'',17''-dione

• ChemBase编号: 119632
• 分子式: C23H32O6
• 平均质量: 404.49658
• 单一同位素质量: 404.21988874
• SMILES: [C@]12([C@@]3(C4(OCO3)OCOC4)CCC1[C@H]1[C@H]([C@@]3(C(CC(=O)CC3)CC1)C)C(=O)C2)C
• Canonical SMILES: O=C1CC[C@]2(C(C1)CC[C@@H]1[C@H]2C(=O)C[C@]2(C1CC[C@]12OCOC21OCOC2)C)C
• InChI: InChI=1S/C23H32O6/c1-20-7-5-15(24)9-14(20)3-4-16-17-6-8-22(21(17,2)10-18(25)19(16)20)23(29-13-27-22)11-26-12-28-23/h14,16-17,19H,3-13H2,1-2H3/t14?,16-,17?,19-,20-,21-,22+,23?/m0/s1
• InChIKey: ZQDVAXPMAQYWLD-ZIJBNNPCSA-N

名称和登记号

名称

• IUPAC标准名: (1''R,2''S,3'R,10''S,15''S)-2'',15''-dimethyldispiro[bis([1,4]dioxolane)-2,2':3',14''-tetracyclo[8.7.0.0^2,^7.0^1^1,^1^5]heptadecane]-5'',17''-dione
• IUPAC传统名: (1''R,2''S,3'R,10''S,15''S)-2'',15''-dimethyldispiro[bis([1,4]dioxolane)-2,2':3',14''-tetracyclo[8.7.0.0^2,^7.0^1^1,^1^5]heptadecane]-5'',17''-dione
• 别名: (1''R,2''S,3'R,10''S,15''S)-2'',15''-dimethyldispiro[bis([1,4]dioxolane)-2,2':3',14''-tetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecane]-5'',17''-dione

登记号

• PubChem SID: 162107842
• PubChem CID: 16394614

理论计算性质

• Acid pKa: 18.783787
• 质子受体: 6
• 质子供体: 0
• LogD (pH = 5.5): 3.3513129
• LogD (pH = 7.4): 3.3513129
• Log P: 3.3513129
• 摩尔折射率: 102.5679 cm^3
• 极化性: 41.695942 Å^3
• 极化表面积: 71.06 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: Rare Derivatives of Natural Compounds