Molecule FYI-1007243

A

Molecule Summary:

ID: FYI-1007243
Names:
InChIKey: MCWIZGOCDUYGIV-VTBUGJKMSA-N
SMILES: C=C[C@]3(C)CCC1C(=CC(=O)C2[C@@](C)(C(=O)O)CCC[C@]12C)C3

Received at FYIcenter.com on: 2024-02-10

Molecule ID: FYI-1007243 Edit

Molecule Structure InChIKey: MCWIZGOCDUYGIV-VTBUGJKMSA-N

Molecule Structure SMILES String: C=C[C@]3(C)CCC1C(=CC(=O)C2[C@@](C)(C(=O)O)CCC[C@]12C)C3

Download SDF Download SVG Structure in 2D SDF:

FYI-1007243
FYIcenter.com

 23 25  0  0  0  0  0  0  0  0999 V2000
    2.4249    3.2156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.6156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    5.3156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.6156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.2156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.5156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.5156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.2156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.6156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    5.3156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4564    6.0153    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3640    1.4020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5331    1.1528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7388    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5564    0.1076    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6125    1.1159    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    5.3156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    6.7156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    7.4156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    6.7156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4266    7.0293    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9989    8.3070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4321    8.0659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
  2 10  1  0  0  0  0
  1  7  1  0  0  0  0
  2 11  1  1  0  0  0
  6 12  1  0  0  0  0
  6 13  1  1  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
  7 16  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 10 20  1  0  0  0  0
  9 17  1  0  0  0  0
 18 21  1  1  0  0  0
 21 22  2  0  0  0  0
 18 23  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007243-3D
FYIcenter.com

 51 53  0  0  1  0  0  0  0  0999 V2000
    3.9597    0.6881   -1.8010 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0013    0.7428   -2.7545 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1968    0.1475   -4.2461 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6891    1.6214   -4.5006 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3537    0.0741   -5.6106 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9030    0.4862   -5.4555 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0914   -0.6035   -4.7286 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.9066   -1.0322   -3.5124 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3613   -1.3288   -2.3287 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0819   -1.2767   -2.0925 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4569   -1.5725   -0.9503 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0226   -1.0611   -3.2725 C   0  0  3  0  0  0  0  0  0  0  0  0
   -3.4826   -0.6836   -2.8740 C   0  0  1  0  0  0  0  0  0  0  0  0
   -4.1663   -1.5777   -1.8070 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5446    0.6805   -2.2050 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5181    1.3833   -2.0941 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3970    1.0010   -1.5706 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3512   -0.8464   -4.1475 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8225   -0.1565   -5.4015 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3402   -0.4726   -5.6811 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4214   -0.1746   -4.4473 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.4889    1.3750   -4.2850 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4501   -1.1212   -3.6456 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7953    1.1065   -0.8121 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9321    0.2434   -1.9949 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0517    1.2178   -2.5020 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0009    1.7969   -5.5388 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6149    1.8918   -3.9713 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9202    2.3971   -4.3218 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4073   -0.9440   -6.0292 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8028    0.6417   -6.4338 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4738    0.6763   -6.4448 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8979    1.4362   -4.9115 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0605   -1.4818   -5.3887 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9522   -1.6437   -1.4754 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0852   -2.0860   -3.6841 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1494   -2.6352   -2.0758 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2205   -1.2799   -1.6938 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7434   -1.4539   -0.8056 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6197    1.5915   -0.8218 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3863   -0.5321   -3.9660 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4037   -1.9217   -4.3811 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9883    0.9219   -5.3130 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4263   -0.4759   -6.2606 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0197    0.0994   -6.5607 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2576   -1.5313   -5.9596 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2143    1.8710   -5.2289 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8170    1.7448   -3.5075 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4860    1.7699   -4.0896 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6603   -1.9883   -4.2931 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8945   -1.5012   -2.7076 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1 24  1  0  0  0  0
  1 25  1  0  0  0  0
  2 26  1  0  0  0  0
  3  5  1  0  0  0  0
  3 23  1  0  0  0  0
  3  4  1  0  0  0  0
  3  2  1  1  0  0  0
  4 27  1  0  0  0  0
  4 28  1  0  0  0  0
  4 29  1  0  0  0  0
  5  6  1  0  0  0  0
  5 30  1  0  0  0  0
  5 31  1  0  0  0  0
  6  7  1  0  0  0  0
  6 32  1  0  0  0  0
  6 33  1  0  0  0  0
  7  8  1  0  0  0  0
  7 21  1  0  0  0  0
  7 34  1  0  0  0  0
  8  9  2  0  0  0  0
  8 23  1  0  0  0  0
  9 10  1  0  0  0  0
  9 35  1  0  0  0  0
 10 12  1  0  0  0  0
 10 11  2  0  0  0  0
 12 13  1  0  0  0  0
 12 21  1  0  0  0  0
 12 36  1  0  0  0  0
 13 18  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  1  0  0  0
 14 37  1  0  0  0  0
 14 38  1  0  0  0  0
 14 39  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 40  1  0  0  0  0
 18 19  1  0  0  0  0
 18 41  1  0  0  0  0
 18 42  1  0  0  0  0
 19 20  1  0  0  0  0
 19 43  1  0  0  0  0
 19 44  1  0  0  0  0
 20 21  1  0  0  0  0
 20 45  1  0  0  0  0
 20 46  1  0  0  0  0
 21 22  1  1  0  0  0
 22 47  1  0  0  0  0
 22 48  1  0  0  0  0
 22 49  1  0  0  0  0
 23 50  1  0  0  0  0
 23 51  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2024-02-18, 1306👍, 0💬