6-酮地塞米松结构式

6-酮地塞米松
中文名称:6-酮地塞米松
英文名称:6-Keto Betamethasone
CAS No.:72559-90-1
分子式:C22H27FO6 分子量:406.444590806961
6-酮地塞米松 数据
Mol:
  0.9309    1.7513    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4163    1.2367    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0304   -0.5227    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5449   -0.0081    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0304    0.5064    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8060    1.8312    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0548    0.1105    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7119    0.4232    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0245   -0.2340    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0211    0.1388    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2253    1.3363    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0783    2.4347    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8082    1.8309    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0428   -2.6790    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2603   -0.5514    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9224    2.9703    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
 12  1  1  6      
 11  2  1  6      
  2 46  1  0      
 16  3  1  1      
  3 51  1  0      
  4 20  2  0      
  5 23  2  0      
  6 26  1  0      
  6 56  1  0      
  7 29  2  0      
  8  9  1  0      
  8 11  1  0      
  8 14  1  0      
  8 19  1  1      
  9 10  1  0      
  9 13  1  0      
  9 30  1  6      
 10 12  1  0      
 10 18  1  0      
 10 31  1  1      
 11 15  1  0      
 11 20  1  0      
 12 16  1  0      
 12 17  1  0      
 13 15  1  0      
 13 32  1  0      
 13 33  1  0      
 14 16  1  0      
 14 34  1  0      
 14 35  1  0      
 15 22  1  1      
 15 36  1  0      
 16 37  1  0      
 17 21  1  0      
 17 24  1  1      
 17 25  1  0      
 18 23  1  0      
 18 38  1  0      
 18 39  1  0      
 19 40  1  0      
 19 41  1  0      
 19 42  1  0      
 20 26  1  0      
 21 23  1  0      
 21 27  2  0      
 22 43  1  0      
 22 44  1  0      
 22 45  1  0      
 24 47  1  0      
 24 48  1  0      
 24 49  1  0      
 25 28  2  0      
 25 50  1  0      
 26 52  1  0      
 26 53  1  0      
 27 29  1  0      
 27 54  1  0      
 28 29  1  0      
 28 55  1  0      
V    1 0
V    2 1
V    3 2
V    4 3
V    5 4
V    6 5
V    7 6
V    8 7
V    9 8
V   10 9
V   11 10
V   12 11
V   13 12
V   14 13
V   15 14
V   16 15
V   17 16
V   18 17
V   19 18
V   20 19
V   21 20
V   22 21
V   23 22
V   24 23
V   25 24
V   26 25
V   27 26
V   28 27
V   29 28
V   30 29
V   31 30
V   32 31
V   33 32
V   34 33
V   35 34
V   36 35
V   37 36
V   38 37
V   39 38
V   40 39
V   41 40
V   42 41
V   43 42
V   44 43
V   45 44
V   46 45
V   47 46
V   48 47
V   49 48
V   50 49
V   51 50
V   52 51
V   53 52
V   54 53
V   55 54
V   56 55
M  END                                
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6-酮地塞米松 Smile 编码:
F[C@@]12[C@]3(C([H])=C([H])C(C([H])=C3C(C([H])([H])[C@@]1([H])[C@]1([H])C([H])([H])[C@]([H])(C([H])([H])[H])[C@](C(C([H])([H])O[H])=O)([C@@]1(C([H])([H])[H])C([H])([H])[C@]2([H])O[H])O[H])=O)=O)C([H])([H])[H]
6-酮地塞米松 InChi 编码:
1S/C22H27FO6/c1-11-6-13-14-8-16(26)15-7-12(25)4-5-19(15,2)21(14,23)17(27)9-20(13,3)22(11,29)18(28)10-24/h4-5,7,11,13-14,17,24,27,29H,6,8-10H2,1-3H3/t11-,13-,14-,17-,19-,20-,21-,22-/m0/s1
6-酮地塞米松 InChiKey 编码:
NBDQTCDZBJJKSK-LJZZTJPRSA-N