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炔诺酮杂质E | 1499-59-8

炔诺酮杂质E结构式图片|1499-59-8结构式图片
炔诺酮杂质E
5b-Dihydrocortisone Acetate 21-Acetate
1499-59-8
C23H32O6
404.49658
如需查看该化合物的详细结构式,mol文件,smile,InChi 请点击:炔诺酮杂质E结构式
229293
炔诺酮杂质E价格
名称和标识符
InChIKey AZCNJEFLSOQGST-LPEMZKRWSA-N
Inchi InChI=1S/C23H32O6/c1-13(24)29-12-19(27)23(28)9-7-17-16-5-4-14-10-15(25)6-8-21(14,2)20(16)18(26)11-22(17,23)3/h14,16-17,20,28H,4-12H2,1-3H3/t14-,16+,17+,20-,21+,22+,23+/m1/s1
SMILES CC(OCC([C@]1(CC[C@H]2[C@@H]3CC[C@@H]4CC(CC[C@]4(C)[C@H]3C(C[C@]12C)=O)=O)O)=O)=O
别名信息
- 中文别名 -
  • 17-alpha,21-二羟基-5-beta-孕甾烷-3,11,20-三酮 21-乙酸酯
  • 炔诺酮杂质E
- 英文别名 -
  • Pregnane-3,11,20-trione,21-(acetyloxy)-17-hydroxy-, (5b)- (9CI)
  • 17-alpha,21-dihydroxy-5-beta-pregnane-3,11,20-trione 21-acetate
  • [2-[(5R,8S,9S,10S,13S,14S,17R)-17-hydroxy-10,13-dimethyl-3,11-dioxo-1,2,4,5,6,7,8,9,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate
  • 5β-Dihydrocortisone Acetate 21-Acetate
  • terahydrocortisone-21-acetate
  • NSC22843
  • L 491297-0
  • 21-Acetyloxy-17-hydroxy-5β-pregnane-3,11,20-trione
  • 17,21-Dihydroxy-5β-pregnane-3,11,20-trione 21-Acetate
  • Pregnane-3,11,20-trione, 21-(acetyloxy)-17-hydroxy-, (5.beta.)-
  • CS-0620847
  • Pregnane-3,20-trione, 21-(acetyloxy)-17-hydroxy-, (5.beta.)-
  • 5
  • A-Dihydrocortisone acetate
  • Pregnane-3,11,20-trione, 21-(acetyloxy)-17-hydroxy-, (5beta)- (9CI)
  • 17-alpha,21-Dihydroxy-5-beta-pregnane-3,11,20-trione 21-acetate
  • 21-ACETYLOXY-17-HYDROXY-5.BETA.-PREGNANE-3,11,20-TRIONE
  • UNII-V3B5QZ569N
  • NSC-22843
  • EINECS 216-111-4
  • L-491297-0
  • Pregnane-3,11,20-trione, 21-(acetyloxy)-17-hydroxy-, (5beta)-
  • dihydrocortisone acetate
  • J206.705F
  • Q27291487
  • HY-148378
  • 1499-59-8
  • NSC 22843
  • A-Dihydrocortisone Acetate 21-Acetate
  • 5beta-Dihydrocortisone acetate 21-acetate
  • 5-.BETA.-PREGNAN-17,21-DIOL-3,11,20-TRIONE 21-ACETATE
  • (5.BETA.)-17-HYDROXY-3,11,20-TRIOXOPREGNAN-21-YL ACETATE
  • 17.ALPHA.,21-DIHYDROXY-5.BETA.-PREGNANE-3,11,20-TRIONE 21-ACETATE
  • DTXSID401191381
  • (2-((5R,8S,9S,10S,13S,14S,17R)-17-HYDROXY-10,13-DIMETHYL-3,11-DIOXO-1,2,4,5,6,7,8,9,12,14,15,16-DODECAHYDROCYCLOPENTA(A)PHENANTHREN-17-YL)-2-OXOETHYL) ACETATE
  • V3B5QZ569N
物化性质
实验特性
LogP 2.64050
PSA 97.74000
折射率 1.54
沸点 556.1°Cat760mmHg
闪点 187.9°C
密度 1.224
计算特性
精确分子量 404.22000
氢键供体数量 1
氢键受体数量 6
可旋转化学键数量 4
同位素质量 404.22
重原子数量 29
复杂度 773
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) 1.8
拓扑分子极性表面积 97.7A^2
专业数据库参考
PubChemId 229293
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