564-33-0 (11b-羟基-雄甾-4-烯-3,17-二酮,11alpha-Hydroxyandrostenedione)

11b-羟基-雄甾-4-烯-3,17-二酮(564-33-0)名称与标识符

名称

中文别名:
11b-羟基-雄甾-4-烯-3,17-二酮;11a-羟基雄烯二酮;11α-羟基-雄甾-4-烯-3,17-二酮;11Alpha-羟基-雄甾-4-烯-3,17-二酮;
英文别名:
11b-Hydroxyandrost-4-ene-3,17-dione;11-Hydroxy-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-3,17-dione;(10R,11R,13S)-11-hydroxy-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-3,17-dione;11a-hydroxyandrost-4-ene-3,17-dione;11α- Hydroxyandrost-4-ene-3,17-dione;11alpha-Hydroxyandrostenedione;11a-hydroxyandrostenedione;(8S,9S,10R,11R,13S,14S)-11-hydroxy-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-3,17-dione;564-33-0;11alpha-hydroxyandrost-4-ene-3,17-dione;(8S,9S,10R,11R,13S,14S)-11-hydroxy-10,13-dimethyl-1,6,7,8,9,10,11,12,13,14,15,16-dodecahydro-3H-cyclopenta[a]phenanthrene-3,17(2H)-dione;AX0E3RB33W;11.ALPHA.-HYDROXY-4-ANDROSTEN-3,17-DIONE;11alpha-Hydroxy-4-androsten-3,17-dione;11alpha-Hydroxyandrostendione;11.ALPHA.-HYDROXYANDROSTENDIONE;SCHEMBL3360918;DTXSID801019361;CHEBI:190716;(8S,10R,11R,13S)-11-Hydroxy-10,13-dimethyl-1,6,7,8,9,10,11,12,13,14,15,16-dodecahydro-2H-cyclopenta[a]phenanthrene-3,17-dione;ANDROST-4-ENE-3,17-DIONE, 11.ALPHA.-HYDROXY-;ANDROST-4-ENE-3,17-DIONE, 11-HYDROXY-, (11.ALPHA.)-;ANDROST-4-EN-11.ALPHA.-OL-3,17-DIONE;11.ALPHA.-HYDROXYANDROSTENEDIONE;(3aS,3bS,9aR,9bS,10R,11aS)-10-hydroxy-9a,11a-dimethyl-1H,2H,3H,3aH,3bH,4H,5H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthrene-1,7-dione;Q27274166;11.ALPHA.-HYDROXYANDROST-4-ENE-3,17-DIONE;11a-Hydroxyandrost-4-ene-3,17-dione (1.0mg/ml in Acetonitrile);NSC 9720;11alpha-Hydroxyandrost-4-ene-317-dione;(8S,9S,10R,11R,13S,14S)-11-Hydroxy-10,13-dimethyl-7,8,9,10,11,12,13,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-3,17(2H,6H)-dione;NSC-9720;UNII-AX0E3RB33W;

标识符

MDL:
MFCD00198516
InChIKey:
WSCUHXPGYUMQEX-GBHAUCNQSA-N
Inchi:
InChI=1S/C19H26O3/c1-18-8-7-12(20)9-11(18)3-4-13-14-5-6-16(22)19(14,2)10-15(21)17(13)18/h9,13-15,17,21H,3-8,10H2,1-2H3/t13-,14-,15+,17+,18-,19-/m0/s1
SMILES:
O[C@@H]1C[C@]2(C)C(CC[C@@]2([H])[C@]2([H])CCC3=CC(CC[C@]3(C)[C@]21[H])=O)=O

11b-羟基-雄甾-4-烯-3,17-二酮(564-33-0)物化性质

实验特性

  • LogP : 3.05820
  • PSA : 54.37000
  • 颜色与性状 : Powder

计算特性

  • 精确分子量 : 302.18800
  • 氢键供体数量 : 1
  • 氢键受体数量 : 3
  • 可旋转化学键数量 : 0
  • 同位素质量 : 302.18819469g/mol
  • 重原子数量 : 22
  • 复杂度 : 577
  • 同位素原子数量 : 0
  • 确定原子立构中心数量 : 0
  • 不确定原子立构中心数量 : 6
  • 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) : 1.6
  • 拓扑分子极性表面积 : 54.4Ų

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