(+)-cis-trikentrin B结构式

(+)-cis-trikentrin B
英文名称:(+)-cis-trikentrin B
CAS No.:132295-93-3
分子式:C17H21N 分子量:239.355
(+)-cis-trikentrin B 数据
Mol:
  0  0  0  0  0  0
   13.1640    8.3735    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.7386   10.5182    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5940   11.0929    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6201    3.8457    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9798    3.0607    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2605    3.0607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9343    1.5240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9850    0.3575    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3719    1.3597    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5869    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7331    2.7948    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1975    3.1215    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9008    3.8457    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  4  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5  8  1  0  0  0  0
  3  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 12  1  0  0  0  0
 12  1  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 14 17  1  0  0  0  0
  2 18  4  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  2  0  0  0  0
 21 22  1  0  0  0  0
 21 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  1  0  0  0  0
 23 26  1  0  0  0  0
 26 27  1  0  0  0  0
 26 28  1  0  0  0  0
 26 29  1  0  0  0  0
 18 30  4  0  0  0  0
 30 31  1  0  0  0  0
 30 32  4  0  0  0  0
 32 33  4  0  0  0  0
 33 34  1  0  0  0  0
 33 35  4  0  0  0  0
 35 36  1  0  0  0  0
 35 37  4  0  0  0  0
 37 38  1  0  0  0  0
 32 39  4  0  0  0  0
 39  1  4  0  0  0  0
 39 37  4  0  0  0  0
M  END                                
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(+)-cis-trikentrin B Smile 编码:
c12c3[n]([H])c([H])c([H])c3c([H])c(/C(=C(/C(C([H])([H])[H])([H])[H])\[H])/[H])c1C(C(C2(C([H])([H])[H])[H])([H])[H])(C([H])([H])[H])[H]
(+)-cis-trikentrin B InChi 编码:
InChI=1/C17H21N/c1-4-5-6-13-10-14-7-8-18-17(14)16-12(3)9-11(2)15(13)16/h5-8,10-12,18H,4,9H2,1-3H3/b6-5+/t11-,12+/m1/s1
(+)-cis-trikentrin B InChiKey 编码:
LCPXZNXUNXCSGA-AIIUZBJTSA-N