阿立新结构式

阿立新
中文名称:阿立新
英文名称:Aricine
CAS No.:482-91-7
分子式:C22H26N2O4 分子量:382.45284
阿立新 数据
Mol:
  0  0  0  0  0
    2.7684   11.0453    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6919   12.3161    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2542   12.1518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1772   13.4219    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4843    8.3400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1228    6.9057    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9229    8.5043    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.2342    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6084    8.0106    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
  9  5  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11  3  1  0  0  0  0
  7 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15  6  1  0  0  0  0
 13 16  1  0  0  0  0
 17 16  1  6  0  0  0
 17 18  1  0  0  0  0
 18 19  1  6  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 17  1  0  0  0  0
 22 23  1  1  0  0  0
 19 24  1  0  0  0  0
 24 25  2  0  0  0  0
 24 26  1  0  0  0  0
 26 27  1  0  0  0  0
 18 28  1  0  0  0  0
 12 28  1  6  0  0  0
M  END                                
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阿立新 Smile 编码:
COC1C=CC2=C(C3CCN4C[C@H]5[C@H](C)OC=C(C(OC)=O)[C@H]5C[C@H]4C=3N2)C=1
阿立新 InChi 编码:
InChI=1S/C22H26N2O4/c1-12-17-10-24-7-6-14-16-8-13(26-2)4-5-19(16)23-21(14)20(24)9-15(17)18(11-28-12)22(25)27-3/h4-5,8,11-12,15,17,20,23H,6-7,9-10H2,1-3H3/t12-,15-,17-,20-/m0/s1
阿立新 InChiKey 编码:
DTDADHMBRZKXSC-GKASHWOUSA-N