(1S,2R,10R,11S,14R,15S)-14-methoxy-2,15-dimethyltetracyclo[8.7.0.02,7.011,15]heptadeca-3,6-dien-5-one

• ChemBase编号: 172736
• 分子式: C20H28O2
• 平均质量: 300.43512
• 单一同位素质量: 300.20893014
• SMILES: C1=C[C@]2(C(=CC1=O)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@H]2OC)C)C
• Canonical SMILES: CO[C@@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CCC2=CC(=O)C=C[C@]12C
• InChI: InChI=1S/C20H28O2/c1-19-10-8-14(21)12-13(19)4-5-15-16-6-7-18(22-3)20(16,2)11-9-17(15)19/h8,10,12,15-18H,4-7,9,11H2,1-3H3/t15-,16-,17-,18+,19-,20-/m0/s1
• InChIKey: JOWOQGZMRGPIKL-OROIIQQLSA-N

名称和登记号

名称

• IUPAC标准名: (1S,2R,10R,11S,14R,15S)-14-methoxy-2,15-dimethyltetracyclo[8.7.0.0^2,^7.0^1^1,^1^5]heptadeca-3,6-dien-5-one
• IUPAC传统名: (1S,2R,10R,11S,14R,15S)-14-methoxy-2,15-dimethyltetracyclo[8.7.0.0^2,^7.0^1^1,^1^5]heptadeca-3,6-dien-5-one
• 别名: (17β)-17-Methoxyandrosta-1,4-dien-3-one; 17β-Methoxyandrosta-1,4-dien-3-one; 17-O-Methyl Boldenone

登记号

• CAS号: 20401-12-1
• PubChem SID: 164228646
• PubChem CID: 71749999

理论计算性质

• Acid pKa: 18.863607
• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): 4.0063734
• LogD (pH = 7.4): 4.0063734
• Log P: 4.0063734
• 摩尔折射率: 90.2743 cm^3
• 极化性: 34.93832 Å^3
• 极化表面积: 26.3 Å^2
• 可自由旋转的化学键: 1
• 里宾斯基五规则: true

详细说明

Toronto Research Chemicals - M226130

17-O-Methyl Boldenone is the O-methylated derivative of Boldenone (B675100), an anabolic steroid. 17-O-Methyl Boldenone is one of the steroids that is analyzed in growth-promoting agents or veterinary drugs administered to livestock.

参考文献

• Lommen, A. et al.: J. Pharmac. Biomed. Anal., 28, 87 (2002)
• Scippo, M. et al.: Anal. Chim. Acta, 473, 135 (2002)