苦参素结构式

中文名称:苦参素
英文名称:Oxymatrine
CAS No.:16837-52-8
分子式:C15H24N2O2 分子量:264.3633
苦参素 数据
Mol:
  -3.2961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7973   -2.0357    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1920   -2.8747    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1920   -5.3341    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7805   -6.1385    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0704   -5.7337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4495   -7.3613    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7805   -5.3188    0.0000 H   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  1  6  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 11 10  1  0  0  0  0
 11 12  1  0  0  0  0
  2 12  1  0  0  0  0
 11 13  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  1  0  0  0  0
 16 15  1  0  0  0  0
 10 16  1  0  0  0  0
 13 17  2  0  0  0  0
 10 18  1  1  0  0  0
  9 19  1  6  0  0  0
  3  9  1  0  0  0  0
 20  5  1  0  0  0  0
 21 20  1  0  0  0  0
  1 21  1  0  0  0  0
  5 22  1  1  0  0  0
  2 23  1  6  0  0  0
M  CHG  2   5   1  22  -1
M  END                                
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苦参素 Smile 编码:
C1CC[N@@+]2([O-])CCC[C@]3([C@]2([H])[C@]1([H])CN1C(=O)CCC[C@]31[H])[H]
苦参素 InChi 编码:
1S/C15H24N2O2/c18-14-7-1-6-13-12-5-3-9-17(19)8-2-4-11(15(12)17)10-16(13)14/h11-13,15H,1-10H2
苦参素 InChiKey 编码:
XVPBINOPNYFXID-UHFFFAOYSA-N