
 OpenBabel04291915443D

 59 61  0  0  1  0  0  0  0  0999 V2000
    0.9746   -0.0397    0.0882 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4566   -0.0397    0.0882 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0704    0.3970   -0.8811 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1311   -0.5197    1.1533 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5181   -0.5197    1.1533 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.0248    0.9062    1.0099 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5181    1.4949   -0.2966 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.9981    1.4949   -0.2966 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.3703   -2.6634   -1.1258 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.5856   -1.6927    0.0239 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.6843   -0.6438   -0.0816 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3580   -0.8891   -0.0569 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5041    0.1047   -0.1568 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0844   -0.1579   -0.1304 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2867    0.7705   -0.2238 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6348   -1.4233   -0.0032 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7289   -1.6755    0.0222 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9108   -1.1851   -0.0271 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8336   -2.2590    0.0809 C   0  0  3  0  0  0  0  0  0  0  0  0
    9.2521   -1.7155    0.0262 C   0  0  3  0  0  0  0  0  0  0  0  0
    9.4674   -0.7449    1.1760 C   0  0  3  0  0  0  0  0  0  0  0  0
   10.8859   -0.2015    1.1213 C   0  0  3  0  0  0  0  0  0  0  0  0
   11.1013    0.7691    2.2710 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.6324   -3.1657   -0.9932 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1135    1.9187    2.1554 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3147    2.8254    3.2295 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8087   -1.2754    1.2293 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5447    0.3290    1.0680 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1748   -2.7894    0.1342 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9914    2.8270   -0.4306 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0248   -1.1085    2.4598 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6179   -0.4542    1.0079 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6179   -0.6290   -0.7306 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6179    0.9640   -0.0128 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0948    0.9062    1.0099 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6681    1.4954    1.8287 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8748    0.9056   -1.1154 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4193    2.3940   -0.2584 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6056   -3.4959   -1.7554 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4340   -2.2012    0.9531 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0140   -1.8572    0.0404 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8952   -2.7272    0.1279 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1717   -1.3343   -0.8902 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1717   -1.1595    0.8483 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6819   -2.7674    1.0100 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4037   -1.2071   -0.9030 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3158   -1.2534    2.1051 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0375    0.3070    0.1921 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.8295    1.0486    3.0035 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1150    1.5361    2.1939 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2651    2.4271    1.2263 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1773    2.3645    4.0719 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.6712   -1.7363    2.0717 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6821    0.7899    0.2256 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0374   -3.2504    0.9766 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6681    3.3612    0.3117 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7784   -0.4505    3.2668 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0868   -1.2283    2.4089 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5658   -2.0611    2.6235 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 32  1  0  0  0  0
  1 33  1  0  0  0  0
  1 34  1  0  0  0  0
  2  4  1  0  0  0  0
  2  3  2  0  0  0  0
  4  5  1  0  0  0  0
  5 31  1  0  0  0  0
  5  6  1  0  0  0  0
  5  9  1  0  0  0  0
  6  7  1  0  0  0  0
  6 35  1  0  0  0  0
  6 36  1  0  0  0  0
  7 30  1  0  0  0  0
  7  8  1  0  0  0  0
  7 37  1  0  0  0  0
  8 13  1  0  0  0  0
  8  9  1  0  0  0  0
  8 38  1  0  0  0  0
  9 10  1  0  0  0  0
  9 39  1  0  0  0  0
 10 11  1  0  0  0  0
 10 18  1  0  0  0  0
 10 40  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 41  1  0  0  0  0
 13 14  1  0  0  0  0
 14 16  1  0  0  0  0
 14 15  2  0  0  0  0
 16 17  1  0  0  0  0
 17 42  1  0  0  0  0
 17 43  1  0  0  0  0
 17 44  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 24  1  0  0  0  0
 19 45  1  0  0  0  0
 20 29  1  0  0  0  0
 20 21  1  0  0  0  0
 20 46  1  0  0  0  0
 21 28  1  0  0  0  0
 21 22  1  0  0  0  0
 21 47  1  0  0  0  0
 22 27  1  0  0  0  0
 22 23  1  0  0  0  0
 22 48  1  0  0  0  0
 23 25  1  0  0  0  0
 23 24  1  0  0  0  0
 23 49  1  0  0  0  0
 25 26  1  0  0  0  0
 25 50  1  0  0  0  0
 25 51  1  0  0  0  0
 26 52  1  0  0  0  0
 27 53  1  0  0  0  0
 28 54  1  0  0  0  0
 29 55  1  0  0  0  0
 30 56  1  0  0  0  0
 31 57  1  0  0  0  0
 31 58  1  0  0  0  0
 31 59  1  0  0  0  0
M  END
>  <SKU>
A14755

>  <Product Name>
8-O-Acetyl shanzhiside methyl ester

>  <CAS>
57420-46-9

>  <M.Wt>
448.41842

>  <Formula>
C19H28O12

>  <Synonyms>
N/A

>  <URL>
https://www.adooq.com/8-o-acetyl-shanzhiside-methyl-ester.html

$$$$
