杠柳毒苷结构式

中文名称:杠柳毒苷
英文名称:Periplocin
CAS No.:13137-64-9
分子式:C36H56O13 分子量:696.82
杠柳毒苷 数据
Mol:
0  0  0  0  0  0
   14.3412    3.9434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    0.2798    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3359    4.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331   -0.2202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331   -1.2202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -1.2202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -1.7202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -1.7202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -3.2202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651   -1.2202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -4.2202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -4.7202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -3.2202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -4.2202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -2.7202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2215    3.9824    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2209    3.8324    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
 15  1  1  6  0  0  0
 19  2  1  6  0  0  0
 32  3  1  6  0  0  0
 36  3  1  1  0  0  0
  4 34  1  0  0  0  0
  4 37  1  0  0  0  0
  5 36  1  0  0  0  0
  5 40  1  0  0  0  0
  6 37  2  0  0  0  0
 39  7  1  6  0  0  0
  7 44  1  0  0  0  0
 41  8  1  6  0  0  0
 43  8  1  1  0  0  0
  9 43  1  0  0  0  0
  9 47  1  0  0  0  0
 45 10  1  6  0  0  0
 46 11  1  1  0  0  0
 48 12  1  6  0  0  0
 13 49  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 14 23  1  0  0  0  0
 14 50  1  6  0  0  0
 15 17  1  0  0  0  0
 15 24  1  0  0  0  0
 16 18  1  0  0  0  0
 16 20  1  0  0  0  0
 16 51  1  1  0  0  0
 17 21  1  0  0  0  0
 17 22  1  0  0  0  0
 17 29  1  6  0  0  0
 18 19  1  0  0  0  0
 18 27  1  0  0  0  0
 18 30  1  6  0  0  0
 19 25  1  0  0  0  0
 19 28  1  0  0  0  0
 20 21  1  0  0  0  0
 22 26  1  0  0  0  0
 22 33  1  6  0  0  0
 23 25  1  0  0  0  0
 24 26  1  0  0  0  0
 27 31  1  0  0  0  0
 28 32  1  0  0  0  0
 31 32  1  0  0  0  0
 33 34  1  0  0  0  0
 33 35  2  0  0  0  0
 35 37  1  0  0  0  0
 36 38  1  0  0  0  0
 38 39  1  0  0  0  0
 39 41  1  0  0  0  0
 40 41  1  0  0  0  0
 40 42  1  1  0  0  0
 43 45  1  0  0  0  0
 45 46  1  0  0  0  0
 46 48  1  0  0  0  0
 47 48  1  0  0  0  0
 47 49  1  1  0  0  0
M  END                                
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杠柳毒苷 Smile 编码:
O[C@]12CC[C@H](C3=CC(=O)OC3)[C@@]1(C)CC[C@]1([H])[C@@]3(C)CC[C@@H](C[C@]3(CC[C@@]21[H])O)O[C@H]1C[C@@H]([C@@H]([C@@H](C)O1)O[C@H]1[C@@H]([C@H]([C@@H]([C@@H](CO)O1)O)O)O)OC