
 OpenBabel04291915373D

 70 73  0  0  1  0  0  0  0  0999 V2000
    2.5563    1.7310    5.6838 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7856    2.8164    6.4175 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.7759    2.8378    6.0641 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4243    4.1302    6.1683 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0100    4.3039    5.0049 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8852    5.4698    4.7385 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.4341    5.7134    5.6241 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0331    6.6595    4.3272 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9308    7.8553    4.0540 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0632    6.9993    5.4471 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7913    5.1523    3.6923 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7941    2.5237    7.9091 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.7929    2.1402    7.9268 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5252    3.3557    7.9989 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1089    3.1665    9.3673 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3779    3.9984    9.4571 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.9139    4.6624    8.8116 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8255    0.8060   11.6192 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.5608    1.4047   12.2132 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0935    2.3214   11.1925 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3582    2.9201   11.7864 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9961    3.8139   10.7913 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2722    3.3254   10.5759 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2272    2.2084   11.4899 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2414    1.3758   11.5602 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1953    0.2294   12.4982 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4824   -0.5710   12.3838 C   0  0  2  0  0  0  0  0  0  0  0  0
   -5.4491   -1.3987   13.0610 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6341   -1.0858   10.9616 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6814    0.0901    9.9996 C   0  0  1  0  0  0  0  0  0  0  0  0
   -5.7883   -0.2723    8.9985 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4008    1.5779   10.7235 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4417    2.5944    9.8917 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4790    0.8378   10.1065 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5872    0.2606   12.7066 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8121   -0.1619   12.2518 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0952    0.7824    5.8638 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5660    1.7095    6.0373 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5503    1.9370    4.6339 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4096    4.8781    6.8792 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8565    3.6098    4.2567 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4842    6.4159    3.4417 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7916    8.5190    3.2263 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9414    8.2061    4.0764 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1869    6.6631    6.4554 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0299    7.1317    5.6912 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3641    5.9155    3.5179 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1617    3.0416    7.2410 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7652    4.3887    7.8568 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5779    3.4806   10.1252 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3489    2.1334    9.5094 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1174    0.6191   12.4735 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8094    1.9662   13.0894 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5847    3.1070   10.9321 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3421    1.7599   10.3163 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0364    2.1345   12.0468 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1095    3.4816   12.6626 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0252    3.6574    9.9532 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3987    2.0640   12.0879 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0885    0.5917   13.4993 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3628   -0.3972   12.2550 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5402   -1.6492   10.8810 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8016   -1.7124   10.7184 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2816    3.5526   10.2398 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6338    2.4344    8.8905 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3822    1.1663   11.0140 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6174    1.0109   12.0926 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4935   -0.3971   13.2458 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7820    0.2886   12.2853 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8552   -1.0586   11.6695 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 37  1  0  0  0  0
  1 38  1  0  0  0  0
  1 39  1  0  0  0  0
  2  3  1  6  0  0  0
  2 12  1  0  0  0  0
  2  4  1  0  0  0  0
  2  1  1  0  0  0  0
  4  5  2  0  0  0  0
  4 40  1  0  0  0  0
  5 41  1  0  0  0  0
  6  8  1  0  0  0  0
  6  7  1  1  0  0  0
  6 11  1  0  0  0  0
  6  5  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 42  1  0  0  0  0
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  9 43  1  0  0  0  0
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 11 47  1  0  0  0  0
 12 14  1  0  0  0  0
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 12 13  1  1  0  0  0
 14 15  1  0  0  0  0
 14 48  1  0  0  0  0
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 15 16  1  0  0  0  0
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 18 36  1  6  0  0  0
 19 20  1  0  0  0  0
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 19 53  1  0  0  0  0
 20 21  1  0  0  0  0
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 23 58  1  0  0  0  0
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 36 70  1  0  0  0  0
M  END
>  <SKU>
A11346

>  <Product Name>
Calcipotriol 

>  <CAS>
112965-21-6 

>  <M.Wt>
412.6047

>  <Formula>
C27H40O3

>  <Synonyms>
MC 903, Calcipotriene

>  <URL>
https://www.adooq.com/calcipotriol.html

$$$$
