
 OpenBabel04291915423D

 81 85  0  0  1  0  0  0  0  0999 V2000
    0.9710    0.0890    0.0353 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4530    0.0890    0.0353 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1101   -0.9686   -0.3848 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1940    1.2817    0.5092 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.9355    1.4806    1.5283 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6884    1.0236    0.4067 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4484    2.2469    0.8927 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9428    1.9888    0.7901 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.7789   -1.2566   -1.8347 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.5204   -1.0578   -0.8156 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4117   -0.0577   -2.6938 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.6701   -0.2565   -3.7129 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1717    1.1657   -2.2078 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6661    0.9076   -2.3103 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4261    2.1309   -1.8243 C   0  0  2  0  0  0  0  0  0  0  0  0
   11.1676    2.3298   -0.8052 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.9205    1.8728   -1.9268 C   0  0  1  0  0  0  0  0  0  0  0  0
   13.2877    1.5903   -3.3745 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5277    0.3669   -3.8605 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8949    0.0844   -5.3082 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.6364    0.9284   -5.9130 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.3893   -0.1737   -5.4108 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2877    0.6738   -1.0677 C   0  0  2  0  0  0  0  0  0  0  0  0
   14.3397    0.4921   -1.1399 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.9205    0.9563    0.3799 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2877   -0.2427    1.2390 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5500    1.3994   -3.4503 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.9173    0.2005   -2.5912 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.5500    0.4830   -1.1436 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3101    1.7063   -0.6575 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1572   -1.0229   -3.0773 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0556    1.6575   -3.3478 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7565   -0.4562   -6.8584 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1493    1.0497   -4.9247 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1849   -1.0584   -5.7622 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.6805    3.0961   -1.4408 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7028    3.2121    1.2762 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6144    1.0265    0.4078 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6144   -0.7024    0.6610 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6144   -0.0572   -0.9628 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5941   -1.7992   -0.7148 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1421   -0.9686   -0.3848 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9469    0.8247   -0.6124 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9469    0.1796    1.0114 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1900    2.4458    1.9118 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1899    3.0909    0.2880 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9132    1.3645   -1.1887 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9132    2.0097   -2.8125 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9246    0.7087   -3.3294 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9246    0.0635   -1.7056 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.3397    1.4086   -3.4467 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.0292    2.4343   -3.9793 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.4757    0.5486   -3.7883 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.7862   -0.4771   -3.2558 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.8685    1.1380    0.4521 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.4555    1.8175    0.7221 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.2543   -0.2019    2.3077 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.0609   -0.9767    1.3298 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4981    0.6647   -1.0714 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8085   -0.3611   -0.5388 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3620    1.5246   -0.7297 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0516    2.5503   -1.2623 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4157   -1.8669   -2.4725 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4157   -1.2218   -4.0963 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1053   -0.8412   -3.0051 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5453    1.1061   -4.1096 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8646    2.7026   -3.4753 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7050    1.3456   -2.3862 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.0085    0.4612   -7.3480 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.9242   -0.9089   -7.3557 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.5952   -1.1198   -6.8907 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.7644    1.4249   -5.7157 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.7644    0.7798   -4.0919 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.4540    1.8055   -4.6244 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.4192   -1.8236   -5.2140 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.4220    3.9401   -2.0456 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.7324    2.9144   -1.5130 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.4220    3.2950   -0.4217 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0557    3.8202    1.8731 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0463    3.7764    0.4344 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5416    2.9010    1.8632 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 38  1  0  0  0  0
  1 39  1  0  0  0  0
  1 40  1  0  0  0  0
  2  4  1  0  0  0  0
  2  3  2  0  0  0  0
  3 41  1  0  0  0  0
  3 42  1  0  0  0  0
  4  6  1  0  0  0  0
  4  5  1  1  0  0  0
  4  9  1  0  0  0  0
  6  7  1  0  0  0  0
  6 43  1  0  0  0  0
  6 44  1  0  0  0  0
  7  8  1  0  0  0  0
  7 45  1  0  0  0  0
  7 46  1  0  0  0  0
  8 37  1  1  0  0  0
  8 30  1  0  0  0  0
  8  9  1  0  0  0  0
  9 11  1  0  0  0  0
  9 10  1  6  0  0  0
 11 28  1  0  0  0  0
 11 13  1  0  0  0  0
 11 12  1  1  0  0  0
 13 14  1  0  0  0  0
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 14 15  1  0  0  0  0
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 17 23  1  0  0  0  0
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 19 20  1  0  0  0  0
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 37 81  1  0  0  0  0
M  END
>  <SKU>
A13951

>  <Product Name>
Lupeol

>  <CAS>
545-47-1

>  <M.Wt>
426.7174

>  <Formula>
C30H50O

>  <Synonyms>
Clerodol, Lupenol, ??-Viscol, Monogynol B, NSC 90487, Fagarasterol 

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

$$$$
