Molecule FYI-1001518

A

Molecule Summary:

ID: FYI-1001518
SMILES: C=C1C[C@@]23CC[C@H]4[C@@](C)(CCC[C@@]4(C)C(=O)O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H]2CC[C@]1(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C3

Received at FYIcenter.com on: 2022-08-22

Molecule ID: FYI-1001518 Edit

Molecule Structure SMILES String: C=C1C[C@@]23CC[C@H]4[C@@](C)(CCC[C@@]4(C)C(=O)O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H]2CC[C@]1(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C

Download SDF Download SVG Structure in 2D SDF:

FYI-1001518
FYIcenter.com

 78 86  0  0  1  0  0  0  0  0999 V2000
   13.2404   11.9830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9574   12.1162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2117   13.2916    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8634   12.9454    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6440   14.2109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4386   14.9069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2331   14.2109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2331   12.8189    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1138   11.4321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0276   12.1229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8220   12.8189    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8220   14.2109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0276   14.9069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8220   15.6029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0276   16.2989    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2331   16.9949    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8220   16.9949    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6166   16.2989    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6166   14.9069    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4111   14.2109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4111   12.8189    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6166   12.1229    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2055   14.9069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   14.2109    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2055   16.2989    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   16.9949    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4111   16.9949    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4111   18.3869    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6166   19.0829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8220   18.3869    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0276   19.0829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2331   18.3869    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4386   19.0829    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0276   20.4749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2331   21.1709    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8220   21.1709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8220   22.5629    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6166   20.4749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4111   21.1709    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2193   11.9964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2775   10.6055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5110    9.9606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0700   11.0437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0121   10.0190    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5958    8.6908    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2372    8.3872    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8208    7.0590    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4624    6.7555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0459    5.4273    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7629    6.0342    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3464    4.7059    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1214    6.3378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0635    5.3130    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6471    3.9847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2886    3.6813    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8722    2.3530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5136    2.0494    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0973    0.7212    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8143    1.3282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3978    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.1728    1.6317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1149    0.6069    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.5892    2.9599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9477    3.2635    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.5379    7.6660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8963    7.9695    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.3128    9.2977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3707   10.3225    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.8111   11.6361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8475   12.6993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2614   14.0038    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.1456   11.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5620   13.2825    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.0877   10.9296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.4462   11.2330    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.6713    9.6013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6134    8.5765    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7759   11.5562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  6  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  1  0  0  0
  8  7  1  0  0  0  0
  8  9  1  1  0  0  0
 10  8  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  1  0  0  0  0
 13  7  1  0  0  0  0
 13 14  1  6  0  0  0
 15 13  1  0  0  0  0
 16 15  2  0  0  0  0
 17 15  1  0  0  0  0
 18 17  1  6  0  0  0
 19 18  1  0  0  0  0
 20 19  1  0  0  0  0
 20 21  1  6  0  0  0
 22 21  1  0  0  0  0
 23 20  1  0  0  0  0
 23 24  1  1  0  0  0
 25 23  1  0  0  0  0
 25 26  1  6  0  0  0
 27 25  1  0  0  0  0
 27 18  1  0  0  0  0
 27 28  1  1  0  0  0
 29 28  1  1  0  0  0
 30 29  1  0  0  0  0
 31 30  1  0  0  0  0
 31 32  1  1  0  0  0
 33 32  1  0  0  0  0
 34 31  1  0  0  0  0
 34 35  1  6  0  0  0
 36 34  1  0  0  0  0
 36 37  1  1  0  0  0
 38 36  1  0  0  0  0
 38 29  1  0  0  0  0
 38 39  1  6  0  0  0
 40  8  1  0  0  0  0
 40  4  1  0  0  0  0
 40 41  1  1  0  0  0
 42 41  1  0  0  0  0
 43 42  1  0  0  0  0
 43  2  1  0  0  0  0
 43 44  1  1  0  0  0
 45 44  1  1  0  0  0
 46 45  1  0  0  0  0
 47 46  1  0  0  0  0
 47 48  1  1  0  0  0
 49 48  1  0  0  0  0
 50 47  1  0  0  0  0
 50 51  1  6  0  0  0
 52 50  1  0  0  0  0
 52 53  1  1  0  0  0
 54 53  1  1  0  0  0
 55 54  1  0  0  0  0
 56 55  1  0  0  0  0
 56 57  1  1  0  0  0
 58 57  1  0  0  0  0
 59 56  1  0  0  0  0
 59 60  1  6  0  0  0
 61 59  1  0  0  0  0
 61 62  1  1  0  0  0
 63 61  1  0  0  0  0
 63 54  1  0  0  0  0
 63 64  1  6  0  0  0
 65 52  1  0  0  0  0
 65 45  1  0  0  0  0
 65 66  1  6  0  0  0
 67 66  1  6  0  0  0
 68 67  1  0  0  0  0
 69 68  1  0  0  0  0
 69 70  1  6  0  0  0
 71 70  1  0  0  0  0
 72 69  1  0  0  0  0
 72 73  1  1  0  0  0
 74 72  1  0  0  0  0
 74 75  1  6  0  0  0
 76 74  1  0  0  0  0
 76 67  1  0  0  0  0
 76 77  1  1  0  0  0
 78 43  1  0  0  0  0
 78  4  1  0  0  0  0
M  END
$$$$

Molecule Structure in 3D: Not available

✍: FYIcenter.com

2022-10-01, 1804👍, 0💬