(2R,2'R,10'R,15'S)-5'-methoxy-2',15'-dimethylspiro[oxolane-2,14'-tetracyclo[8.7.0.02,7.011,15]heptadecane]-5',7'-dien-5-one

• ChemBase编号: 184414
• 分子式: C23H32O3
• 平均质量: 356.49838
• 单一同位素质量: 356.23514488
• SMILES: [C@@]12(C(=CC[C@@H]3C1CC[C@@]1([C@@]4(OC(=O)CC4)CCC31)C)C=C(CC2)OC)C
• Canonical SMILES: COC1=CC2=CC[C@@H]3C([C@]2(CC1)C)CC[C@]1(C3CC[C@]21CCC(=O)O2)C
• InChI: InChI=1S/C23H32O3/c1-21-10-6-16(25-3)14-15(21)4-5-17-18(21)7-11-22(2)19(17)8-12-23(22)13-9-20(24)26-23/h4,14,17-19H,5-13H2,1-3H3/t17-,18?,19?,21+,22+,23-/m1/s1
• InChIKey: OKMHWOWJDRPCCT-PZWMIBCYSA-N

名称和登记号

名称

• IUPAC标准名: (2R,2'R,10'R,15'S)-5'-methoxy-2',15'-dimethylspiro[oxolane-2,14'-tetracyclo[8.7.0.0^2,^7.0^1^1,^1^5]heptadecane]-5',7'-dien-5-one
• IUPAC传统名: (2R,2'R,10'R,15'S)-5'-methoxy-2',15'-dimethylspiro[oxolane-2,14'-tetracyclo[8.7.0.0^2,^7.0^1^1,^1^5]heptadecane]-5',7'-dien-5-one

登记号

• PubChem SID: 164240324
• PubChem CID: 16395967

理论计算性质

• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): 3.7009444
• LogD (pH = 7.4): 3.7009444
• Log P: 3.7009444
• 摩尔折射率: 103.6622 cm^3
• 极化性: 40.41988 Å^3
• 极化表面积: 35.53 Å^2
• 可自由旋转的化学键: 1
• 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