51333-05-2 (21-乙酰氧基-11beta-羟基-16alpha,17alpha-丙基甲基烯二氧代孕甾烷-1,4-二烯-3,20-二酮,21-Acetoxy-11b-hydroxy-16a,17a-propylmethylenedioxpregna-1,4-diene-3,20-dione)

CAS号:
51333-05-2
中文名称:
21-乙酰氧基-11beta-羟基-16alpha,17alpha-丙基甲基烯二氧代孕甾烷-1,4-二烯-3,20-二酮
英文名称:
21-Acetoxy-11b-hydroxy-16a,17a-propylmethylenedioxpregna-1,4-diene-3,20-dione
分子式:
C27H36O7
分子量:
472.57054901123

21-乙酰氧基-11beta-羟基-16alpha,17alpha-丙基甲基烯二氧代孕甾烷-1,4-二烯-3,20-二酮(51333-05-2)名称与标识符

名称

中文别名:
21-乙酰氧基-11beta-羟基-16alpha,17alpha-丙基甲基烯二氧代孕甾烷-1,4-二烯-3,20-二酮;布地奈德 21-乙酸酯;布地奈德杂质K;
英文别名:
21-Acetoxy-11β-hydroxy-16α,17α-propylmethylenedioxpregna-1,4-diene-3,20-dione;21-ACETOXY-11B-HYDROXY-16A,17A-PROPYLMETHYLENEDIOXPREGNA-1,4-DIENE-3,20-DIONE;Budesonide 21-acetate;21-Acetoxy-11;A,17;A-hydroxy-16;A-propylmethylenedioxpregna-1,4-diene-3,20-dione;51333-05-2;UNII-4AZ2VA5QDS;(11.BETA.,16.ALPHA.)-21-(ACETYLOXY)-16,17-(BUTYLIDENEBIS(OXY))-11-HYDROXYPREGNA-1,4-DIENE-3,20-DIONE;16?,17-[(1RS)-Butylidenebis(oxy)]-11?,21-dihydroxypregna-1,4-diene-3,20-dione 21-Acetate;(11beta,16alpha)-21-(Acetyloxy)-16,17-(butylidenebis(oxy))-11-hydroxypregna-1,4-diene-3,20-dione;(11ss,16a)-21-(Acetyloxy)-16,17-[butylidenebis(oxy)]-11-hydroxy-pregna-1,4-diene-3,20-dione; 21-(Acetoxy)-16a,17a-(butylidenedioxy)-11ss-hydroxypregna-1,4-diene-3,20-dione; 16a,17-[(1RS)-Butylidenebis(oxy)]-11ss,21-dihydroxypregna-1,4-diene-3,20-dione 21-Acetate; Budesonide Imp. K (EP);Budesonide impurity K [EP];21-(Acetoxy)-16alpha,17alpha-(butylidenedioxy)-11beta-hydroxypregna-1,4-diene-3,20-dione;4AZ2VA5QDS;16.ALPHA.,17-((1RS)-BUTYLIDENEBIS(OXY))-11.BETA.,21-DIHYDROXYPREGNA-1,4-DIENE-3,20-DIONE-21-ACETATE;2-[(4bS,5S,6aS,6bS,9aR,10aS,10bS)-5-Hydroxy-4a,6a-dimethyl-2-oxo-8-propyl-2,4a,4b,5,6,6a,9a,10,10a,10b,11,12-dodecahydro-6bH,8H-naphtho[2',1':4,5]indeno[1,2-d][1,3]dioxol-6b-yl]-2-oxoethyl acetate;BUDESONIDE 21-ACETATE (EPIMERS) [USP IMPURITY];SCHEMBL7735898;[2-[(1S,2S,4R,8S,9S,11S,12S,13R)-11-hydroxy-9,13-dimethyl-16-oxo-6-propyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-8-yl]-2-oxoethyl] acetate;BUDESONIDE IMPURITY K [EP IMPURITY];DTXSID70535536;21-Acetoxy-11 beta -hydroxy-16 alpha ,17 alpha -propylmethylenedioxpregna-1,4-diene-3,20-dione;16alpha,17-((1RS)-Butylidenebis(oxy))-11beta,21-dihydroxypregna-1,4-diene-3,20-dione-21-acetate;21-(ACETOXY)-16.ALPHA.,17.ALPHA.-(BUTYLIDENEDIOXY)-11.BETA.-HYDROXYPREGNA-1,4-DIENE-3,20-DIONE;21-Acetoxy-11beta-hydroxy-16alpha,17alpha-propylmethylenedioxpregna-1,4-diene-3,20-dione;21-Acetoxy-11?-hydroxy-16?,17?-propylmethylenedioxpregna-1,4-diene-3,20-dione;(11b,16a)-21-(Acetyloxy)-16,17-[butylidenebis(oxy)]-11-hydroxy-pregna-1,4-diene-3,20-dione;

标识符

InChIKey:
QZIYSFVNRMBENV-PONRWWDOSA-N
Inchi:
1S/C27H36O7/c1-5-6-23-33-22-12-19-18-8-7-16-11-17(29)9-10-25(16,3)24(18)20(30)13-26(19,4)27(22,34-23)21(31)14-32-15(2)28/h9-11,18-20,22-24,30H,5-8,12-14H2,1-4H3/t18-,19-,20-,22+,23?,24+,25-,26-,27+/m0/s1
SMILES:
O1C(CCC)O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(C=C[C@]5(C)[C@H]4[C@H](C[C@]3(C)[C@]12C(COC(C)=O)=O)O)=O

21-乙酰氧基-11beta-羟基-16alpha,17alpha-丙基甲基烯二氧代孕甾烷-1,4-二烯-3,20-二酮(51333-05-2)物化性质

实验特性

  • LogP : 3.28760
  • PSA : 99.13000
  • 沸点 : NA
  • 熔点 : NA

计算特性

  • 精确分子量 : 472.24600
  • 氢键供体数量 : 1
  • 氢键受体数量 : 7
  • 可旋转化学键数量 : 6
  • 同位素质量 : 472.24610348g/mol
  • 重原子数量 : 34
  • 复杂度 : 968
  • 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 : 1
  • 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) : 3.1
  • 拓扑分子极性表面积 : 99.1Ų

21-乙酰氧基-11beta-羟基-16alpha,17alpha-丙基甲基烯二氧代孕甾烷-1,4-二烯-3,20-二酮(51333-05-2)安全信息

21-乙酰氧基-11beta-羟基-16alpha,17alpha-丙基甲基烯二氧代孕甾烷-1,4-二烯-3,20-二酮(51333-05-2)推荐厂家 更多厂家(14)

21-乙酰氧基-11beta-羟基-16alpha,17alpha-丙基甲基烯二氧代孕甾烷-1,4-二烯-3,20-二酮(51333-05-2)参考资料

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