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Sucrose pentamyristate结构式

Sucrose pentamyristate结构式图片|94139-16-9结构式图片 查看94139-16-9大图 英文名称:Sucrose pentamyristate
CAS No.:94139-16-9
分子式: C82H152O16
分子量:1394.07468
如需查看该化合物的详细物理属性、别名、危化属性、合成路线等,可点击:94139-16-9

Sucrose pentamyristate 数据

Mol:

 0  0  0  0  0  0  0  0  0
   21.4646   40.6258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.1032   42.0601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.7519   22.4190    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.2588   21.9338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.9324   20.3981    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.0920   22.9843    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5989   22.4992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4321   23.5497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9390   23.0646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7722   24.1151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2791   23.6299    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1123   24.6805    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6192   24.1953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4524   25.2459    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9593   24.7607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7926   25.8112    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2994   25.3261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1327   26.3766    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.6756   19.0220    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.6756   17.4520    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.3159   19.8070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9563   19.0220    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5966   19.8070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2369   19.0220    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8773   19.8070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5176   19.0220    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1580   19.8070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7983   19.0220    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4386   19.8070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0790   19.0220    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7193   19.8070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3597   19.0220    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   19.8070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  1  6  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  8  7  1  6  0  0  0
  8  9  1  0  0  0  0
  9 10  1  6  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
  9 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29  8  1  0  0  0  0
 28 30  1  1  0  0  0
 30 31  1  0  0  0  0
 27 32  1  6  0  0  0
 26 33  1  1  0  0  0
  6 34  1  1  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  2  0  0  0  0
 36 38  1  0  0  0  0
 38 39  1  0  0  0  0
 39 40  1  0  0  0  0
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 41 42  1  0  0  0  0
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  6 51  1  0  0  0  0
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  5 52  1  6  0  0  0
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 53 55  1  0  0  0  0
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 66 67  1  0  0  0  0
  4 68  1  1  0  0  0
 68 69  1  0  0  0  0
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  1 84  1  0  0  0  0
 84 85  2  0  0  0  0
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 92 93  1  0  0  0  0
 93 94  1  0  0  0  0
 94 95  1  0  0  0  0
 95 96  1  0  0  0  0
 96 97  1  0  0  0  0
 97 98  1  0  0  0  0
M  END

                
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Sucrose pentamyristate Smile 编码: CCCCCCCCCCCCCC(=O)OC[C@@H]1[C@@H](OC(=O)CCCCCCCCCCCCC)[C@H](OC(=O)CCCCCCCCCCCCC)[C@@](O[C@@H]2[C@H](OC(=O)CCCCCCCCCCCCC)[C@@H](O)[C@H](O)[C@@H](CO)O2)(COC(=O)CCCCCCCCCCCCC)O1

Sucrose pentamyristate InChi 编码: InChI=1S/C82H152O16/c1-6-11-16-21-26-31-36-41-46-51-56-61-71(84)91-67-70-78(94-73(86)63-58-53-48-43-38-33-28-23-18-13-8-3)80(96-75(88)65-60-55-50-45-40-35-30-25-20-15-10-5)82(97-70,68-92-72(85)62-57-52-47-42-37-32-27-22-17-12-7-2)98-81-79(77(90)76(89)69(66-83)93-81)95-74(87)64-59-54-49-44-39-34-29-24-19-14-9-4/h69-70,76-81,83,89-90H,6-68H2,1-5H3/t69-,70-,76-,77+,78-,79-,80+,81-,82+/m1/s1

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