灵芝酸AM1结构式

灵芝酸AM1
中文名称:灵芝酸AM1
英文名称:Lanost-8-en-26-oicacid, 3-hydroxy-7,11,15,23-tetraoxo-, (3b)-
CAS No.:149507-55-1
分子式:C30H42O7 分子量:514.65029001236
灵芝酸AM1 数据
Mol:
  0  0  0  0  0  0  0  0  0  0
    4.0799    5.2857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0793    2.1443    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4402    1.3586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8010    2.1445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1608    1.3599    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7193    1.3600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9337    0.0007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5037    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3599    2.1455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.3608    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3601    3.7155    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7198    4.5005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
 10  9  1  6  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  1  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 12 18  1  1  0  0  0
 15 19  1  6  0  0  0
 15 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
 24 13  1  0  0  0  0
 21 25  1  0  0  0  0
 25 26  1  1  0  0  0
 25 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 20  1  0  0  0  0
 29 30  2  0  0  0  0
 27 31  1  0  0  0  0
 31 32  1  0  0  0  0
 31 33  1  0  0  0  0
 31 34  1  0  0  0  0
 34 35  1  1  0  0  0
 34 36  1  0  0  0  0
 36 37  1  0  0  0  0
 37 25  1  0  0  0  0
M  END                                
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灵芝酸AM1 Smile 编码:
OC(C(CC(C[C@H]([C@H]1CC(=O)[C@]2(C3C(=O)CC4C([C@H](CC[C@]4(C)C=3C(C[C@]12C)=O)O)(C)C)C)C)=O)C)=O