Molecule FYI-1005039

A

Molecule Summary:

ID: FYI-1005039
Names:
InChIKey: OKIKYYZNNZCZRX-UHFFFAOYSA-N
SMILES: CCC(C)C(=O)OC4C(=O)OC2CC1C(C)=CC(=O)C(O)C1(C)C3C(O)C(O)C5(C)OCC23C45

Received at FYIcenter.com on: 2023-10-10

Molecule ID: FYI-1005039 Edit

Molecule Structure InChIKey: OKIKYYZNNZCZRX-UHFFFAOYSA-N

Molecule Structure SMILES String: CCC(C)C(=O)OC4C(=O)OC2CC1C(C)=CC(=O)C(O)C1(C)C3C(O)C(O)C5(C)OCC23C45

Download SDF Download SVG Structure in 2D SDF:

FYI-1005039
FYIcenter.com

 34 38  0  0  0  0  0  0  0  0999 V2000
    9.4073    5.9354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2102    5.2442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0131    5.9354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8160    5.2442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8737    3.8172    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6187    5.9354    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3283    5.2932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4228    3.9946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4695    2.9564    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2194    3.1746    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0272    3.8619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0272    5.2442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2245    5.9354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9371    7.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2668    8.6300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5622    7.4321    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.1691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6898    6.5934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7909    7.4292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9317    5.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7080    4.4055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3071    3.3704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4656    2.3729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0957    2.5573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9909    1.0943    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3609    0.9099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2057    2.0040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5756    1.8196    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7898    3.3931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4527    4.3609    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1461    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0607    4.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0218    4.7057    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0131    7.3177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  2  0  0  0  0
  6  4  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  2  0  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
 14 13  1  0  0  0  0
 15 14  1  0  0  0  0
 16 14  1  0  0  0  0
 17 16  1  0  0  0  0
 17 12  1  0  0  0  0
 18 14  1  0  0  0  0
 19 18  1  0  0  0  0
 20 18  1  0  0  0  0
 21 20  1  0  0  0  0
 21 12  1  0  0  0  0
 22 21  1  0  0  0  0
 23 22  1  0  0  0  0
 24 23  1  0  0  0  0
 24 11  1  0  0  0  0
 25 23  1  0  0  0  0
 26 25  2  0  0  0  0
 27 26  1  0  0  0  0
 28 27  2  0  0  0  0
 29 27  1  0  0  0  0
 29 22  1  0  0  0  0
 30 29  1  0  0  0  0
 31 25  1  0  0  0  0
 32 22  1  0  0  0  0
 33 20  1  0  0  0  0
 34  3  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1005039-3D
FYIcenter.com

 68 72  0  0  1  0  0  0  0  0999 V2000
   19.1317   -8.8974   -7.3548 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.9298   -8.0294   -7.0515 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.7515   -6.8999   -8.0771 C   0  0  3  0  0  0  0  0  0  0  0  0
   17.4220   -7.4146   -9.4758 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6067   -6.0446   -7.6197 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4292   -6.3715   -7.7865 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.0272   -4.9476   -6.8823 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.9151   -4.4041   -6.2073 C   0  0  3  0  0  0  0  0  0  0  0  0
   14.9281   -3.7324   -7.1489 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1556   -3.2436   -8.2352 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.6765   -3.8551   -6.5967 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.5807   -3.4004   -5.2398 C   0  0  3  0  0  0  0  0  0  0  0  0
   12.2909   -3.9264   -4.6652 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8633   -2.8500   -3.6880 C   0  0  3  0  0  0  0  0  0  0  0  0
   10.3628   -2.6744   -3.5595 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4981   -2.9958   -4.7656 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8668   -1.9793   -2.5294 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8031   -1.4449   -1.5027 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3833   -1.2712   -0.3663 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.3044   -1.2267   -1.9045 C   0  0  3  0  0  0  0  0  0  0  0  0
   12.3899   -0.2062   -2.8958 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.8642   -2.5982   -2.4418 C   0  0  3  0  0  0  0  0  0  0  0  0
   12.7852   -3.5011   -1.1746 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4404   -2.6017   -2.9971 C   0  0  3  0  0  0  0  0  0  0  0  0
   15.5647   -2.8702   -1.9452 C   0  0  3  0  0  0  0  0  0  0  0  0
   15.5632   -1.8798   -0.9265 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.9689   -2.9728   -2.6166 C   0  0  3  0  0  0  0  0  0  0  0  0
   17.4695   -1.6848   -2.9922 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.9853   -3.9493   -3.8441 C   0  0  3  0  0  0  0  0  0  0  0  0
   18.4362   -4.1236   -4.2991 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3642   -5.1913   -3.4393 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.9201   -5.0540   -3.6285 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7008   -3.6187   -4.2145 C   0  0  3  0  0  0  0  0  0  0  0  0
   16.0577   -3.4745   -4.9559 C   0  0  3  0  0  0  0  0  0  0  0  0
   19.2999   -9.6205   -6.5488 H   0  0  0  0  0  0  0  0  0  0  0  0
   20.0388   -8.2887   -7.4538 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.9912   -9.4603   -8.2847 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.0392   -7.6022   -6.0464 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.0276   -8.6582   -7.0106 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.6465   -6.2684   -8.1285 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.6260   -8.1706   -9.4481 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.3009   -7.8645   -9.9426 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.0717   -6.6014  -10.1224 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.3856   -5.2929   -5.8711 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.5308   -2.3104   -5.3880 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.3812   -4.9150   -4.2045 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5947   -4.0588   -5.4982 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.0234   -1.9416   -4.2861 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4679   -4.0715   -4.9663 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8988   -2.4852   -5.6537 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4663   -2.6546   -4.6504 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8192   -1.7194   -2.4370 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.8266   -0.8663   -1.0101 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.2875    0.1592   -2.8593 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7788   -3.6274   -0.7692 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.3534   -3.0177   -0.3601 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.2101   -4.4938   -1.2907 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.6025   -1.5855   -3.3782 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.3954   -3.8253   -1.4320 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.1997   -2.1854   -0.2479 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.6633   -3.3503   -1.8538 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.7459   -1.1500   -3.3551 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.0775   -4.4128   -3.4590 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.8333   -3.1861   -4.7103 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.5596   -4.9073   -5.0476 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.5797   -5.8735   -4.2678 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.4393   -5.2419   -2.6719 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.2677   -2.4379   -5.2584 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 35  1  0  0  0  0
  1 36  1  0  0  0  0
  1 37  1  0  0  0  0
  2  3  1  0  0  0  0
  2 38  1  0  0  0  0
  2 39  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3 40  1  0  0  0  0
  4 41  1  0  0  0  0
  4 42  1  0  0  0  0
  4 43  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 34  1  0  0  0  0
  8 44  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 33  1  0  0  0  0
 12 45  1  0  0  0  0
 13 14  1  0  0  0  0
 13 46  1  0  0  0  0
 13 47  1  0  0  0  0
 14 15  1  0  0  0  0
 14 22  1  0  0  0  0
 14 48  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  2  0  0  0  0
 16 49  1  0  0  0  0
 16 50  1  0  0  0  0
 16 51  1  0  0  0  0
 17 18  1  0  0  0  0
 17 52  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
 20 53  1  0  0  0  0
 21 54  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  1  0  0  0  0
 23 55  1  0  0  0  0
 23 56  1  0  0  0  0
 23 57  1  0  0  0  0
 24 25  1  0  0  0  0
 24 33  1  0  0  0  0
 24 58  1  0  0  0  0
 25 26  1  0  0  0  0
 25 27  1  0  0  0  0
 25 59  1  0  0  0  0
 26 60  1  0  0  0  0
 27 28  1  0  0  0  0
 27 29  1  0  0  0  0
 27 61  1  0  0  0  0
 28 62  1  0  0  0  0
 29 30  1  0  0  0  0
 29 31  1  0  0  0  0
 29 34  1  0  0  0  0
 30 63  1  0  0  0  0
 30 64  1  0  0  0  0
 30 65  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 32 66  1  0  0  0  0
 32 67  1  0  0  0  0
 33 34  1  0  0  0  0
 34 68  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-10-27, 1905👍, 0💬