
 OpenBabel04291915453D

 92 97  0  0  1  0  0  0  0  0999 V2000
    6.0449    1.9522   -2.3144 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3039    1.1258   -1.3324 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9898    1.1258   -1.3324 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2488    0.2984   -0.3513 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2366   -0.4464    0.5320 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.1104    0.5543    1.2705 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0449    1.9532   -2.3136 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.4409    1.7859   -2.1152 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5266   -1.2391    1.4721 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2488    1.9532   -2.3136 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.7918    1.7786   -2.1066 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9379    2.4225   -2.8701 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5192    2.2479   -2.6631 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.2792    3.0965   -3.6694 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7736    2.9174   -3.4571 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5336    3.7660   -4.4634 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.8864    2.6828   -1.2537 C   0  0  3  0  0  0  0  0  0  0  0  0
   -2.3808    2.5038   -1.0413 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1408    3.3524   -2.0477 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4319    3.3232   -3.9383 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.8664    3.3232   -3.9383 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8664    6.2235   -7.3776 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5157    5.4984   -6.5178 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7433    5.4984   -6.5178 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8664    4.7733   -5.6579 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5157    4.0483   -4.7981 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7433    4.0483   -4.7981 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4699    4.7733   -5.6579 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7984    5.5231   -6.5470 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5445    5.5231   -6.5470 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2160    6.2728   -7.4361 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5589    6.2728   -7.4361 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7984    4.0236   -4.7688 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1264    1.8342   -0.2474 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0280    3.5870   -4.2510 C   0  0  3  0  0  0  0  0  0  0  0  0
   -5.3952    4.0219   -2.8416 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7880    4.4356   -5.2574 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2824    4.2565   -5.0450 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0424    5.1051   -6.0513 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.5368    4.9260   -5.8390 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.9040    3.4635   -6.0297 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.9040    5.3610   -4.4296 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.2468    5.7188   -6.7791 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2230    1.3794   -3.2004 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9799    2.2556   -1.8918 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4667    2.8184   -2.5599 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6337   -0.4060   -0.8711 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6337    0.9298    0.2553 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8517   -1.0777   -0.0746 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9258    0.1267    1.8157 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7348    1.1798    2.0531 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9132    2.5015   -3.2229 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5940    1.2904   -1.2955 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9689   -0.6668    2.0219 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3142    2.0172   -2.3895 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4478    1.1514   -1.3627 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7777    1.2183   -2.7973 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0207    2.7903   -4.6615 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.0321    3.2236   -2.4649 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0321    1.8878   -3.5913 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6120    4.3146   -5.3787 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6393    2.8099   -0.0492 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6393    1.4742   -1.1756 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5116    4.2940   -1.7001 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0448    3.0874   -2.5550 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6466    3.8254   -4.8584 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3144    6.0992   -7.2303 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0605    4.9469   -5.8638 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7000    6.8490   -8.1193 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5085    6.5333   -7.7450 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9233    3.3632   -3.9857 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4888    2.4656    0.3592 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4888    1.1298   -0.7672 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8217    1.3099    0.3744 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -5.1367    5.0515   -2.7074 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8602    3.4245   -2.1332 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4472    3.8959   -2.6922 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5295    4.1294   -6.2495 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5295    5.4652   -5.1231 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5409    4.5627   -4.0529 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5409    3.2269   -5.1793 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7839    4.7989   -7.0435 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7839    6.1347   -5.9171 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.6455    3.1573   -7.0219 H   0  0  0  0  0  0  0  0  0  0  0  0
  -10.9560    3.3374   -5.8803 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.3690    2.8661   -5.3213 H   0  0  0  0  0  0  0  0  0  0  0  0
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  -10.0125    6.6522   -6.6574 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 44  1  0  0  0  0
  1 45  1  0  0  0  0
  1 46  1  0  0  0  0
  2  3  2  0  0  0  0
  2  7  1  0  0  0  0
  3 10  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
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  4 48  1  0  0  0  0
  5  9  1  0  0  0  0
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  5 49  1  0  0  0  0
  6  7  1  0  0  0  0
  6 50  1  0  0  0  0
  6 51  1  0  0  0  0
  7  8  1  0  0  0  0
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 41 87  1  0  0  0  0
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 42 89  1  0  0  0  0
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 42 91  1  0  0  0  0
 43 92  1  0  0  0  0
M  END
>  <SKU>
A15125

>  <Product Name>
Impurity C of Calcitriol

>  <CAS>
86307-44-0

>  <M.Wt>
591.78066

>  <Formula>
C35H49N3O5

>  <Synonyms>
N/A

>  <URL>
https://www.adooq.com/impurity-c-of-calcitriol.html

$$$$
