人参皂苷F4结构式

人参皂苷F4
中文名称:人参皂苷F4
英文名称:Ginsenoside F4
CAS No.:181225-33-2
分子式:C42H70O12 分子量:766.9980
人参皂苷F4 数据
Mol:
9.3910    5.1717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.8265    7.8318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4781    3.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.7764    8.9989    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4781    2.3550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1974    2.3550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8378    1.5700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.2621   10.4919    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5571    1.5700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0790    4.3175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.7979   10.8178    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0790    2.7475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7193    1.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3597    4.3175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3597    2.7475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.2836   12.3108    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.8480    9.6507    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.1025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 21  1  1  6  0  0  0
 36  1  1  6  0  0  0
 22  2  1  1  0  0  0
 31  3  1  1  0  0  0
  4 36  1  0  0  0  0
  4 42  1  0  0  0  0
 39  5  1  1  0  0  0
 46  5  1  1  0  0  0
 41  6  1  6  0  0  0
 43  7  1  1  0  0  0
  8 46  1  0  0  0  0
  8 50  1  0  0  0  0
  9 45  1  0  0  0  0
 48 10  1  6  0  0  0
 49 11  1  6  0  0  0
 51 12  1  1  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 13 19  1  0  0  0  0
 13 28  1  1  0  0  0
 14 16  1  0  0  0  0
 14 20  1  1  0  0  0
 15 17  1  0  0  0  0
 15 23  1  0  0  0  0
 15 29  1  6  0  0  0
 16 18  1  0  0  0  0
 16 26  1  0  0  0  0
 16 30  1  1  0  0  0
 17 22  1  6  0  0  0
 17 25  1  0  0  0  0
 18 21  1  0  0  0  0
 18 24  1  1  0  0  0
 19 21  1  0  0  0  0
 20 22  1  0  0  0  0
 23 27  1  0  0  0  0
 24 31  1  0  0  0  0
 24 33  1  0  0  0  0
 24 34  1  0  0  0  0
 25 27  1  0  0  0  0
 25 35  1  1  0  0  0
 26 32  1  0  0  0  0
 31 32  1  0  0  0  0
 35 37  1  0  0  0  0
 35 38  2  0  0  0  0
 36 39  1  0  0  0  0
 38 40  1  0  0  0  0
 39 41  1  0  0  0  0
 40 44  1  0  0  0  0
 41 43  1  0  0  0  0
 42 43  1  0  0  0  0
 42 45  1  6  0  0  0
 44 47  2  0  0  0  0
 46 48  1  0  0  0  0
 47 52  1  0  0  0  0
 47 53  1  0  0  0  0
 48 49  1  0  0  0  0
 49 51  1  0  0  0  0
 50 51  1  0  0  0  0
 50 54  1  6  0  0  0
M  END                                
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人参皂苷F4 Smile 编码:
O([C@H]1[C@@H]([C@H]([C@@H]([C@@H](CO)O1)O)O)O[C@H]1[C@@H]([C@@H]([C@H]([C@H](C)O1)O)O)O)[C@H]1C[C@@]2(C)[C@]3(C)CC[C@H](/C(=C\C/C=C(\C)/C)/C)[C@H]3[C@@H](C[C@@H]2[C@@]2(C)CC[C@@H](C(C)(C)[C@@H]21)O)O
人参皂苷F4 InChi 编码:
1S/C42H70O12/c1-20(2)11-10-12-21(3)23-13-16-41(8)29(23)24(44)17-27-40(7)15-14-28(45)39(5,6)36(40)25(18-42(27,41)9)52-38-35(33(49)31(47)26(19-43)53-38)54-37-34(50)32(48)30(46)22(4)51-37/h11-12,22-38,43-50H,10,13-19H2,1-9H3/b21-12-/t22-,23+,24+,25-,26+,27+,28-,29-,30-,31+,32+,33-,34+,35+,36-,37-,38+,40+,41+,42+/m0/s1
人参皂苷F4 InChiKey 编码:
QOMBXPYXWGTFNR-KRPFXEAISA-N