(1S,2R,10R,11S,14S,15S)-14-hydroxy-15-methyl(13,13,14-2H3)tetracyclo[8.7.0.02,7.011,15]heptadec-6-en-5-one

• ChemBase编号: 174954
• 分子式: C18H26O2
• 平均质量: 274.39784
• 单一同位素质量: 274.19328007
• SMILES: C1CC(=O)C=C2[C@H]1[C@@H]1[C@@H](CC2)[C@H]2[C@](CC1)([C@H](CC2)O)C
• Canonical SMILES: O=C1CC[C@H]2C(=C1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@@H]2O)C
• InChI: InChI=1S/C18H26O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h10,13-17,20H,2-9H2,1H3/t13-,14+,15+,16-,17-,18-/m0/s1
• InChIKey: NPAGDVCDWIYMMC-IZPLOLCNSA-N

名称和登记号

名称

• IUPAC标准名: (1S,2R,10R,11S,14S,15S)-14-hydroxy-15-methyl(13,13,14-^2H₃)tetracyclo[8.7.0.0^2,^7.0^1^1,^1^5]heptadec-6-en-5-one
• IUPAC传统名: (1S,2R,10R,11S,14S,15S)-14-hydroxy-15-methyl(13,13,14-^2H₃)tetracyclo[8.7.0.0^2,^7.0^1^1,^1^5]heptadec-6-en-5-one
• 别名: (17β)-17-Hydroxyestr-4-en-3-one-d3; (+)-19-Nortestosterone-d3; 17β-Hydroxy-19-nor-4-androsten-3-one-d3; 19-Norandrostenolone-d3; Norandrostenolon-d3; Norandrostenolone-d3; Nandrolone-d3

登记号

• CAS号: 120813-22-1
• PubChem SID: 164230864
• PubChem CID: 71750926

理论计算性质

• Acid pKa: 19.27889
• 质子受体: 2
• 质子供体: 1
• LogD (pH = 5.5): 3.065376
• LogD (pH = 7.4): 3.0653763
• Log P: 3.0653763
• 摩尔折射率: 79.9547 cm^3
• 极化性: 31.416986 Å^3
• 极化表面积: 37.3 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; Ethanol; Ether
• 外观: White Solid
• 熔点: 116-117°C

安全信息

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

详细说明

Toronto Research Chemicals - N315002

A labelled anabolic steroid.Controlled substance (anabolic steroid).

参考文献

• Gradeen, C., et al.: J. Anal. Toxicol., 14, 120 (1990)
• Teale, P., et al.: Biol. Mass Spectrom., 20, 109 (1990)
• Yamada, M., et al.: J. Pharm. Biomed. Anal., 45, 125 (1990)
• Yamada, M., et al.: J. Anal. Toxicol., 32, 387 (1990)