6890-65-9 (5-Alpha-妊娠-3-alpha-17-二醇-20-酮,(3α,5α)-3,17-Dihydroxypregnan-20-one)

5-Alpha-妊娠-3-alpha-17-二醇-20-酮(6890-65-9)名称与标识符

名称

中文别名:
5-Alpha-妊娠-3-alpha-17-二醇-20-酮;
英文别名:
Pregnan-20-one,3,17-dihydroxy-, (3a,5a)-;5-ALPHA-PREGNAN-3-ALPHA, 17-DIOL-20-ONE;3-ethyl-5-isopropyl-2-methylphenol;AC1L30GI;AC1Q79VV;AR-1F3153;ar-Ethyl-2-methyl-5-(1-methylethyl)-phenol;CTK8D4953;EINECS 268-441-3;Ethyl-5-isopropyl-o-cresol;1-[(3R,5S,8R,9S,10S,13S,14S,17R)-3,17-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-yl]ethanone;1-((3R,5R,8R,9S,10S,13S,14S,17R)-3,17-dihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)ethanone;DTXSID701290974;5alpha-Pregnane-3alpha,17alpha-diol-20-one;(3alpha,5alpha)-3,17-dihydroxypregnan-20-one;17alpha-hydroxyallopregnanolone;6890-65-9;5alpha-pregnan-3alpha,17alpha-diol-20-one;17-OH allopregnanolone;3alpha,17-Dihydroxy-5alpha-pregnan-20-one;5-Beta-pregnan-3-alpha, 17-diol-20-one;NS00081101;3alpha,17alpha-Dihydroxy-5alpha-pregnan-20-one;EINECS 229-994-6;CHEBI:194477;Pregnan-20-one, 3,17-dihydroxy-, (3alpha,5alpha)-;(3?,5?)-3,17-Dihydroxypregnan-20-one;CHEBI:180513;5alpha-Pregnan-3alpha,17-diol-20-one;SCHEMBL7979659;

标识符

InChIKey:
LKQDFQLSEHWIRK-JRRMKBMNSA-N
Inchi:
1S/C21H34O3/c1-13(22)21(24)11-8-18-16-5-4-14-12-15(23)6-9-19(14,2)17(16)7-10-20(18,21)3/h14-18,23-24H,4-12H2,1-3H3/t14-,15+,16+,17-,18-,19-,20-,21-/m0/s1
SMILES:
O[C@]1(C(C)=O)CC[C@@H]2[C@]1(C)CC[C@@H]1[C@@]3(C)CC[C@H](C[C@@H]3CC[C@H]12)O

5-Alpha-妊娠-3-alpha-17-二醇-20-酮(6890-65-9)物化性质

实验特性

  • PSA : 57.53

计算特性

  • 精确分子量 : 334.25092
  • 氢键供体数量 : 2
  • 氢键受体数量 : 3
  • 可旋转化学键数量 : 1
  • 同位素质量 : 334.25079494g/mol
  • 重原子数量 : 24
  • 复杂度 : 545
  • 同位素原子数量 : 0
  • 确定原子立构中心数量 : 8
  • 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) : 3.7
  • 拓扑分子极性表面积 : 57.5Ų

5-Alpha-妊娠-3-alpha-17-二醇-20-酮(6890-65-9)推荐厂家 更多厂家(1)

公司名称手机号/电话联系人QQ微信询单
上海维亦特生物科技有限公司 15317051735赵静 2033721411
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