根薯酮内酯C结构式

根薯酮内酯C
中文名称:根薯酮内酯C
英文名称:Taccalonolide C
CAS No.:117803-96-0
分子式:C36H46O14 分子量:272.73282
根薯酮内酯C 数据
Mol:
 0  0  0  0  0  0  0  0  0  0  0  0
    3.0161    0.9843    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1579    1.4932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4280    2.4160    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6982    1.4932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2130    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6430    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11  5  2  0  0  0  0
  6 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14  3  1  0  0  0  0
 12 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 15  2  0  0  0  0
M  END                                
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根薯酮内酯C Smile 编码:
CNC1CN=C(C2=CC=CN2)C2=CC(=CC=C2N=1)Cl