(1S,2R,10R,11S,14S,15S)-6,14-dihydroxy-2,14,15-trimethyltetracyclo[8.7.0.02,7.011,15]heptadec-6-en-5-one

• ChemBase编号: 128783
• 分子式: C20H30O3
• 平均质量: 318.4504
• 单一同位素质量: 318.21949482
• SMILES: C[C@]12CCC(=O)C(=C1CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@]2(C)O)C)O
• Canonical SMILES: O=C1CC[C@]2(C(=C1O)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@]2(C)O)C)C
• InChI: InChI=1S/C20H30O3/c1-18-9-8-16(21)17(22)15(18)5-4-12-13(18)6-10-19(2)14(12)7-11-20(19,3)23/h12-14,22-23H,4-11H2,1-3H3/t12-,13+,14+,18-,19+,20+/m1/s1
• InChIKey: RXXBBHGCAXVBES-XMUHMHRVSA-N

名称和登记号

名称

• IUPAC标准名: (1S,2R,10R,11S,14S,15S)-6,14-dihydroxy-2,14,15-trimethyltetracyclo[8.7.0.0^2,^7.0^1^1,^1^5]heptadec-6-en-5-one
• IUPAC传统名: oxymesterone
• 别名: Oranabol; Anamidol; Aranabol; Oxymesterone; (17β)-4,17-Dihydroxy-17-methyl-androst-4-en-3-one; 4,17β-Dihydroxy-17-methylandrost-4-en-3-one; 4-Hydroxy-17-methyltestosterone; NSC 45048; Theranabol

登记号

• CAS号: 145-12-0
• PubChem SID: 162223087
• PubChem CID: 72061
• 维基百科标题: Oxymesterone

理论计算性质

• Acid pKa: 9.31319
• 质子受体: 3
• 质子供体: 2
• LogD (pH = 5.5): 3.1272752
• LogD (pH = 7.4): 3.122072
• Log P: 3.1273422
• 摩尔折射率: 91.0354 cm^3
• 极化性: 35.71905 Å^3
• 极化表面积: 57.53 Å^2
• 可自由旋转的化学键: 0
• 里宾斯基五规则: true

分子性质

理化性质

• 溶解度: Chloroform; Methanol
• 外观: White Solid
• 熔点: 166-169°C

安全信息

• 保存条件: Controlled Substance, -20°C Freezer, Under Inert Atmosphere

详细说明

Toronto Research Chemicals - O876425

An anabolic steroid.

参考文献

• Moon, J., et al.: Steroids, 73, 1090 (2008)
• Kiousi, P., et al.: Bioanal., 1, 1209 (2008)
• Fragkaki, A., et al.: J. Steroid Biochem. Mol. Biol., 115, 44 (2008)