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

• ChemBase编号: 182243
• 分子式: C22H32O3
• 平均质量: 344.48768
• 单一同位素质量: 344.23514488
• SMILES: [C@]12(C3(OC3)CCC1C1C([C@@]3(C(=CC1)CC1(OCCO1)CC3)C)CC2)C
• Canonical SMILES: C[C@]12CCC3(CC1=CCC1C2CC[C@]2(C1CCC12OC1)C)OCCO3
• InChI: InChI=1S/C22H32O3/c1-19-9-10-22(23-11-12-24-22)13-15(19)3-4-16-17(19)5-7-20(2)18(16)6-8-21(20)14-25-21/h3,16-18H,4-14H2,1-2H3/t16?,17?,18?,19-,20-,21?/m0/s1
• InChIKey: OULYBQZTBUFJRZ-DVBNIQRLSA-N

名称和登记号

名称

• IUPAC标准名: (2'R,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''-oxiran]-7'-ene
• IUPAC传统名: (2'R,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''-oxiran]-7'-ene

登记号

• PubChem SID: 164238153
• PubChem CID: 16395397

理论计算性质

• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): 3.6611886
• LogD (pH = 7.4): 3.6611886
• Log P: 3.6611886
• 摩尔折射率: 97.3745 cm^3
• 极化性: 38.709866 Å^3
• 极化表面积: 30.99 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