2487-48-1 (雄甾-5-烯-3beta,7beta-二醇-17-酮,5-Androsten-3beta,7beta-diol-17-one)

CAS号:
2487-48-1
中文名称:
雄甾-5-烯-3beta,7beta-二醇-17-酮
英文名称:
5-Androsten-3beta,7beta-diol-17-one
分子式:
C19H28O3
分子量:
304.423826217651

雄甾-5-烯-3beta,7beta-二醇-17-酮(2487-48-1)名称与标识符

名称

中文别名:
雄甾-5-烯-3beta,7beta-二醇-17-酮;7b--羟基去氢表雄酮;7β-羟基脱氢表雄酮标准品;
英文别名:
5-Androsten-3beta,7beta-diol-17-one;7β-Hydroxy Dehydro Epiandrosterone;7b-Hydroxydehydroepiandrosterone;7b-Hydroxy-DHEA;7-b-OH-DHEA;A,7;A-Dihydroxy-5-androsten-17-one;A-Dihydroxy-5-androstene-17-one;A-Hydroxy Dehydro Epiandrosterone;A-Hydroxy-DHEA;A-OH-DHEA;Androst-5-en-17-one,3b,7b-dihydroxy- (7CI,8CI);3a,7b-Hydroxyandrost-5-en-17-one;3b,7b-Dihydroxy-5-androsten-17-one;3b,7b-Dihydroxy-5-androstene-17-one;Androst-5-ene-17-one-3b,7b-diol;Androst-5-ene-3b,7b-diol-17-one;?-Hydroxy dhea;7beta-Hydroxy Dehydro Epiandrosterone;3b,7b-dihydroxy-Androst-5-en-17-one;androst-5-en-17-one-3beta,7beta-diol;A848781;7beta-Hydroxy-dhea;Q27271468;7beta-hydroxydehydroepiandrosterone;CHEMBL1082098;SCHEMBL602258;3.ALPHA.,7.BETA.-HYDROXYANDROST-5-EN-17-ONE;ANDROST-5-EN-17-ONE, 3.BETA.,7.BETA.-DIHYDROXY-;CAA48748;Androst-5-en-17-one, 3,7-dihydroxy-, (3beta,7beta)-;7.BETA.-HYDROXY-DHEA;(3aS,3bR,4R,7S,9aR,9bS,11aS)-4,7-dihydroxy-9a,11a-dimethyl-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-one;(3.BETA.,7.BETA.)-3,7-DIHYDROXYANDROST-5-EN-17-ONE;3b,7b-dihydroxy-ost-5-en-17-one;3.BETA.,7-DIHYDROXY-5-ETIOALLOCHOLEN-17-ONE;7-beta-OH-DHEA;2487-48-1;7b-Hydroxy dehydroepiandrosterone;3beta,7-Dihydroxy-5-etioallocholen-17-one;(3b,7b)-3,7-dihydroxy-Androst-5-en-17-one;ANDROST-5-ENE-17-ONE-3.BETA.,7.BETA.-DIOL;ANDROST-5-ENE-3.BETA.,7.BETA.-DIOL-17-ONE;7b-Hydroxydehydroepiandrosterone;3alpha,7beta-Hydroxyandrost-5-en-17-one;Androst-5-en-17-one, 3,7-dihydroxy-, (3b,7b)-;UNII-923RBW7OJQ;ANDROST-5-EN-17-ONE-3.BETA.,7.BETA.-DIOL;7beta-Hydroxy DHEA;Androst-5-ene-17-one-3beta,7beta-diol;7;(3S,7R,8R,9S,10R,13S,14S)-3,7-dihydroxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-one;ANDROST-5-EN-17-ONE, 3,7-DIHYDROXY-, (3.BETA.,7.BETA.)-;OLPSAOWBSPXZEA-GCNMQWDSSA-N;DTXSID50431284;7b-Hydroxy Dehydro Epiandrosterone (1.0 mg/mL in Acetonitrile);923RBW7OJQ;7-.BETA.-OH-DHEA;AS-31472;(3beta,7beta)-3,7-Dihydroxyandrost-5-en-17-one;3alpha,7beta-Hydroxyandrost-5-en-17-one;7.BETA.-HYDROXYDEHYDROEPIANDROSTERONE;5-Androsten-3-beta, 7-beta-diol-17-one;(3S, 7R, 8R, 9S, 10R, 13S, 14S)-3, 7-dihydroxy-10, 13-dimethyl-1, 2, 3, 4, 7, 8, 9, 11, 12, 14, 15, 16-dodecahydrocyclopenta[a]phenanthren-17-one;AKOS027327553;Androst-5-en-17-one, 3beta,7beta-dihydroxy-;LMST02020106;BCP14641;Androst-5-ene-3beta,7beta-diol-17-one;7?-Hydroxy-DHEA;7b-Hydroxy Dehydro Epiandrosterone;(3aS,3bR,4R,7S,9aR,9bS,11aS)-4,7-dihydroxy-9a,11a-dimethyl-2,3,3a,3b,4,6,7,8,9,9a,9b,10,11,11a-tetradecahydro-1H-cyclopenta(a)phenanthren-1-one;3beta,7beta-dihydroxy-5-androstene-17-one;(3aS,3bR,4R,7S,9aR,9bS,11aS)-4,7-dihydroxy-9a,11a-dimethyl-2,3,3a,3b,4,6,7,8,9,9a,9b,10,11,11a-tetradecahydro-1H-cyclopenta[a]phenanthren-1-one;7 alpha-hydroxydehydroepiandrosterone;7beta-OH-DHEA;3beta,7beta-dihydroxy-5-androsten-17-one;DTXCID00382116;CHEBI:183368;

标识符

MDL:
MFCD00198721
InChIKey:
OLPSAOWBSPXZEA-GCNMQWDSSA-N
Inchi:
1S/C19H28O3/c1-18-7-5-12(20)9-11(18)10-15(21)17-13-3-4-16(22)19(13,2)8-6-14(17)18/h10,12-15,17,20-21H,3-9H2,1-2H3/t12-,13-,14-,15-,17-,18-,19-/m0/s1
SMILES:
O[C@H]1C=C2C[C@H](CC[C@]2(C)[C@H]2CC[C@]3(C)C(CC[C@H]3[C@@H]21)=O)O

雄甾-5-烯-3beta,7beta-二醇-17-酮(2487-48-1)物化性质

实验特性

  • LogP : 2.85000
  • PSA : 57.53000

计算特性

  • 精确分子量 : 304.20400
  • 氢键供体数量 : 2
  • 氢键受体数量 : 3
  • 可旋转化学键数量 : 0
  • 同位素质量 : 304.20384475g/mol
  • 重原子数量 : 22
  • 复杂度 : 539
  • 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) : 2.1
  • 拓扑分子极性表面积 : 57.5Ų

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