65-04-3 (17alpha-甲基异睾酮,17α-Methyl-1-Testosterone)

17alpha-甲基异睾酮(65-04-3)名称与标识符

名称

中文别名:
17alpha-甲基异睾酮;17beta-羟基-17alpha-甲基-5alpha-雄甾-1-烯-3-酮;17α-甲基异睾酮;17β-羟基-17α-甲基-5α-雄甾-1-烯-3-酮;甲基-1-睾酮;17β-羟基-17α-甲基-5α-雄甾-1-烯;17a-甲基异睾酮;
英文别名:
17α-Methyl-1-Testosterone;17a-Methyl-1-Testosterone;17b-hydroxy-17a-methyl-5a-androst-1-en-3-one;Methyl 1-Testosterone;Methyl-1-Testosterone;17a-Methyl-1-Testosterone knightlabs_leeisun;17-methyl-1-testosterone;Adroidin;Adroyd;Anadrol;Anadroyd;Becorel;ci406;Raboral;Roboral;17alpha-Methyl-1-testosterone;17.beta.-hydroxy-17.alpha.-methyl-5.alpha.-androst-1-en-3-one;OXANDROLONE IMPURITY, .DELTA.1-MESTALONE- [USP IMPURITY];SCHEMBL4115261;17.BETA.-HYDROXY-17.ALPHA.-METHYL-5.ALPHA.-ANDROST-1-ENE-3-ONE;(5S,8R,9S,10R,13S,14S,17S)-17-hydroxy-10,13,17-trimethyl-5,6,7,8,9,11,12,14,15,16-decahydro-4H-cyclopenta[a]phenanthren-3-one;17alpha-Methyl-17beta-hydroxy-5alpha-androst-1-en-3-one;JRNSSSJKIGAFCT-YDSAWKJFSA-N;17.ALPHA.-METHYL-17.BETA.-HYDROXY-.DELTA.1-5.ALPHA.-ANDROSTEN-3-ONE;18167-94-7;17beta-hydroxy-17alpha-methyl-5alpha-androst-1-en-3-one;17alpha-Methyl-17-hydroxy-5alpha-androsta-1-ene-3-one;17alpha-Methyl-17beta-hydroxy-delta1-5alpha-androsten-3-one;17-ALPHA-METHYL-1-TESTOSTERONE;ANDROST-1-EN-3-ONE, 17-HYDROXY-17-METHYL-, (5.ALPHA.,17.BETA.)-;Androst-1-en-3-one, 17-hydroxy-17-methyl-, (5alpha,17beta)-;17-Methyl-1-Testosterone : (5 a ,17 b )-17-Hydroxy-17-methylandrosta-1-en-3-one;DTXSID20879831;DB01572;17beta-Hydroxy-17alpha-methyl-5alpha-androst-1-ene-3-one;(5alpha,17beta)-17-Hydroxy-17-methylandrost-1-en-3-one;17.ALPHA.-METHYL-17.BETA.-HYDROXY-5.ALPHA.-ANDROST-1-EN-3-ONE;(+)-Methyl-1-testosterone;Oxandrolone impurity, delta1-mestalone- [USP];Q6823920;21O907N0NH;AKOS015962937;UNII-21O907N0NH;SC-11195;65-04-3;Methyl 1-Testosterone (1.0mg/ml in Acetonitrile);NS00069759;(1S,3aS,3bR,5aS,9aR,9bS,11aS)-1-hydroxy-1,9a,11a-trimethyl-1H,2H,3H,3aH,3bH,4H,5H,5aH,6H,7H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-one;7alpha-methyl-Delta1-dihydrotestosterone;(5S,8R,9S,10R,13S,14S,17S)-17-Hydroxy-10,13,17-trimethyl-4,5,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-3H-cyclopenta[a]phenanthren-3-one;OXANDROLONE IMPURITY, DELTA1-MESTALONE-(USP IMPURITY);OXANDROLONE IMPURITY, .DELTA.1-MESTALONE-[USP IMPURITY];DTXCID901017825;Oxandrolone impurity, delta1-mestalone-[USP];Oxandrolone impurity, delta1-mestalone-(USP);(1S,3aS,3bR,5aS,9aR,9bS,11aS)-1-hydroxy-1,9a,11a-trimethyl-1H,2H,3H,3aH,3bH,4H,5H,5aH,6H,7H,9aH,9bH,10H,11H,11aH-cyclopenta(a)phenanthren-7-one;

标识符

InChIKey:
JRNSSSJKIGAFCT-YDSAWKJFSA-N
Inchi:
1S/C20H30O2/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/h6,9,13,15-17,22H,4-5,7-8,10-12H2,1-3H3/t13-,15+,16-,17-,18-,19-,20-/m0/s1
SMILES:
O[C@@]1(C)CC[C@H]2[C@@H]3CC[C@H]4CC(C=C[C@]4(C)[C@H]3CC[C@@]21C)=O

17alpha-甲基异睾酮(65-04-3)物化性质

实验特性

  • LogP : 4.12520
  • PSA : 37.30000
  • 沸点 : 422.719 °C at 760 mmHg
  • 熔点 : 154-155 ºC
  • 闪点 : 180.4 °C
  • 溶解度 : H2O: ≤0.5 mg/mL
  • 颜色与性状 : 黑色-绿色固体
  • 密度 : 1.082

计算特性

  • 精确分子量 : 302.22500
  • 氢键供体数量 : 1
  • 氢键受体数量 : 2
  • 可旋转化学键数量 : 0
  • 同位素质量 : 302.224580195g/mol
  • 重原子数量 : 22
  • 复杂度 : 538
  • 同位素原子数量 : 0
  • 确定原子立构中心数量 : 7
  • 不确定原子立构中心数量 : 0
  • 确定化学键立构中心数量 : 0
  • 不确定化学键立构中心数量 : 0
  • 共价键单元数量 : 1
  • 疏水参数计算参考值(XlogP) : 4.1
  • 拓扑分子极性表面积 : 37.3Ų

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