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

• ChemBase编号: 118998
• 分子式: C20H28O2
• 平均质量: 300.43512
• 单一同位素质量: 300.20893014
• SMILES: [C@@]12(C(=CC(=O)C=C2)CC[C@@H]2[C@@H]1CC[C@]1([C@H]2CC[C@@]1(O)C)C)C
• Canonical SMILES: O=C1C=C[C@]2(C(=C1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@]2(C)O)C)C
• InChI: InChI=1S/C20H28O2/c1-18-9-6-14(21)12-13(18)4-5-15-16(18)7-10-19(2)17(15)8-11-20(19,3)22/h6,9,12,15-17,22H,4-5,7-8,10-11H2,1-3H3/t15-,16+,17+,18+,19+,20+/m1/s1
• InChIKey: XWALNWXLMVGSFR-HLXURNFRSA-N

名称和登记号

名称

• IUPAC标准名: (1S,2R,10R,11S,14S,15S)-14-hydroxy-2,14,15-trimethyltetracyclo[8.7.0.0^2,^7.0^1^1,^1^5]heptadeca-3,6-dien-5-one
• IUPAC传统名: methandrostenolone
• 别名: 17b-羟基-17a-甲基-1,4-雄甾二烯-3-酮; 1-脱氢-17α-甲基睾甾酮; 去氢甲睾酮; 美雄酮; 羟甲雄二烯酮; (8R,9S,10R,13S,14S,17S)-17-hydroxy-10,13,17-trimethyl-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthren-3-one; (17β)-17-Hydroxy-17-methylandrosta-1,4-dien-3-one; Dehydromethyltestosterone; 1,2-Dehydro-17-methyltestosterone; 1,4-Androstadien-17α-methyl-17β-ol-3-one; Abirol; Anabolin; Danabol; Metandienone; Methandon; Methandrolone; Methylboldenone; Naposim; Nerobol; Sterolon; Methandrostenolone; 17β-Hydroxy-17-methylandrosta-1,4-dien-3-one; 1-Dehydro-17α-methyltestosterone; Dianabol; Methandienone; Methandrostenolone

登记号

• CAS号: 72-63-9
• EC号: 200-787-2
• MDL号: MFCD00003650
• Beilstein号: 2056255
• PubChem SID: 24879519; 162107373
• PubChem CID: 6300

理论计算性质

• Acid pKa: 18.863474
• 质子受体: 2
• 质子供体: 1
• LogD (pH = 5.5): 3.6438231
• LogD (pH = 7.4): 3.6438234
• Log P: 3.6438234
• 摩尔折射率: 90.1613 cm^3
• 极化性: 34.86451 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
• 外观: White Solid
• 熔点: 161-164°C; 164-166 °C
• 比旋光度: [α]20/D -0.5±0.5°, c = 1.1% in chloroform

安全信息

• 保存条件: Controlled Substance, -20°C Freezer
• RTECS编号: BV8000000
• 德国WGK号: 3
• 个人保护装置: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter
• 毒品管制信息: USDEA Schedule IIIN; regulated under CDSA - not available from Sigma-Aldrich Canada
• 保存温度: 2-8°C

产品相关信息

• 纯度: ≥99.0% (HPLC)
• Empirical Formula (Hill Notation): C20H28O2

详细说明

Sigma Aldrich - 55609

Other Notes
可能实行销售限制

Toronto Research Chemicals - M226000

Anabolic steroid. Androgen.Controlled substance.

参考文献

• Schanzer, W., et al.: Clin. Chem., 42, 1001 (1996)
• Kicman, A., et al.: Br. J. Pharmacol., 154, 502 (1996)
• Fragkaki, A., et al.: Steroids, 74, 172 (1996)