Molecule FYI-1000336

Home > Molecule

A

Molecule Summary:

ID: FYI-1000336
SMILES: CC(=C)C1CCC2(C1C3CCC4C5(CCC(=O)C(C5CCC4(C3(CC2)C)C)(C)C)C)C

Received at FYIcenter.com on: 2021-04-06

Molecule ID: FYI-1000336 Edit

Molecule Structure SMILES String: CC(=C)C1CCC2(C1C3CCC4C5(CCC(=O)C(C5CCC4(C3(CC2)C)C)(C)C)C)C

Download SDF Download SVG Structure in 2D SDF:

FYI-1000336
FYIcenter.com

 31 35  0  0  0  0  0  0  0  0999 V2000
    5.3325    9.2943    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1201    9.9942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1201   11.3941    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9078    9.2943    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6290    9.8636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6922    8.8234    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3922    7.6111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7615    7.9021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6982    6.8617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0674    7.1528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0042    6.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5716    4.7811    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5083    3.7409    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8775    4.0319    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8143    2.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3817    1.6602    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3184    0.6200    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0124    1.3692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0757    2.4095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7064    2.1184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7697    3.1588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2023    4.4901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2656    5.5305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8963    5.2394    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9596    6.2797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4831    4.1990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0047    4.0981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9721    0.4326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3034    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9408    5.0723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.4647    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  2  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  8  4  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  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
 14 13  1  0  0  0  0
 15 14  1  0  0  0  0
 16 15  1  0  0  0  0
 17 16  2  0  0  0  0
 18 16  1  0  0  0  0
 19 18  1  0  0  0  0
 19 13  1  0  0  0  0
 20 19  1  0  0  0  0
 21 20  1  0  0  0  0
 22 21  1  0  0  0  0
 22 12  1  0  0  0  0
 23 22  1  0  0  0  0
 23  9  1  0  0  0  0
 24 23  1  0  0  0  0
 25 24  1  0  0  0  0
 25  7  1  0  0  0  0
 26 23  1  0  0  0  0
 27 22  1  0  0  0  0
 28 18  1  0  0  0  0
 29 18  1  0  0  0  0
 30 13  1  0  0  0  0
 31  7  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1000336-3D
FYIcenter.com

 79 83  0  0  1  0  0  0  0  0999 V2000
    2.1492    1.0578    2.0869 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5759    0.7736    0.6702 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6084    0.5024   -0.2349 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0854    0.7669    0.3508 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.8952    0.3996    1.6146 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0624   -1.1450    1.5617 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5788   -1.6166    0.1437 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.6788   -0.3015   -0.6736 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.2321   -0.0114   -0.9621 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.5081    1.2597   -1.7528 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6523    1.9498   -1.0081 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9259    1.0695   -0.9145 C   0  0  3  0  0  0  0  0  0  0  0  0
   10.0976    1.7956   -0.1302 C   0  0  3  0  0  0  0  0  0  0  0  0
   10.3562    3.2274   -0.7155 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6174    3.8923   -0.1272 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8220    3.0127   -0.3770 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7938    3.4515   -0.9909 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.7529    1.5637    0.1552 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4287    0.9677   -0.4326 C   0  0  3  0  0  0  0  0  0  0  0  0
   11.3168   -0.5710   -0.3278 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0807   -1.1431   -1.0769 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7479   -0.5154   -0.5663 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.3402   -1.1156   -1.2413 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.8777   -2.4705   -0.6167 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3762   -2.6814   -0.6414 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5441   -1.3838   -2.7560 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7485   -0.9138    0.9453 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0011    0.8186   -0.3830 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8654    1.5259    1.6887 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6615    2.0698    1.3364 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1721   -2.2230    0.3357 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0693    1.2055    2.1982 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6345    1.9626    2.4726 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4085    0.2139    2.7427 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5635    0.4552    0.0744 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8214    0.2680   -1.2662 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3320    1.7863    0.0283 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4873    0.7262    2.5673 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8627    0.9139    1.6045 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4697   -1.5889    2.3627 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0922   -1.4071    1.7742 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1183   -0.3405   -1.6157 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5533    0.2481    0.0329 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6443    1.9302   -1.7777 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7874    1.0746   -2.7885 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2992    2.2367   -0.0111 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8714    2.8846   -1.5342 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2580    1.0625   -1.9663 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5067    3.9077   -0.4985 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4628    3.1816   -1.8056 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5511    4.1126    0.9422 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7887    4.8483   -0.6401 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5572    1.1026   -1.5228 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.3573   -0.8844    0.7186 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.1952   -1.0394   -0.7847 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0672   -2.2333   -0.9716 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2225   -0.9423   -2.1461 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1430   -2.5886    0.4284 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3675   -3.3178   -1.1114 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1682   -3.6835   -0.2502 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0297   -2.6920   -1.6856 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2720   -0.7062   -3.2107 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6080   -1.2934   -3.3155 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9262   -2.3975   -2.9375 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6146   -0.5949    1.5149 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8210   -2.0068    1.0514 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8823   -0.5512    1.4805 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.9784    0.7302   -1.4767 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.0836   -0.1921    0.0352 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.9187    1.3452   -0.1159 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.9149    1.3731    2.1955 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.3219    2.4420    2.0805 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.4797    0.6859    2.0302 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7973    2.7455    1.3599 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4087    2.5875    1.9321 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3522    1.2057    1.9143 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5809   -1.7139    1.1016 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2535   -3.2533    0.7081 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6053   -2.2474   -0.5970 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  3  2  0  0  0  0
  2  4  1  0  0  0  0
  3 35  1  0  0  0  0
  3 36  1  0  0  0  0
  4  5  1  0  0  0  0
  4  8  1  0  0  0  0
  4 37  1  0  0  0  0
  5  6  1  0  0  0  0
  5 38  1  0  0  0  0
  5 39  1  0  0  0  0
  6  7  1  0  0  0  0
  6 40  1  0  0  0  0
  6 41  1  0  0  0  0
  7  8  1  0  0  0  0
  7 25  1  0  0  0  0
  7 31  1  0  0  0  0
  8  9  1  0  0  0  0
  8 42  1  0  0  0  0
  9 10  1  0  0  0  0
  9 23  1  0  0  0  0
  9 43  1  0  0  0  0
 10 11  1  0  0  0  0
 10 44  1  0  0  0  0
 10 45  1  0  0  0  0
 11 12  1  0  0  0  0
 11 46  1  0  0  0  0
 11 47  1  0  0  0  0
 12 13  1  0  0  0  0
 12 22  1  0  0  0  0
 12 48  1  0  0  0  0
 13 14  1  0  0  0  0
 13 19  1  0  0  0  0
 13 30  1  0  0  0  0
 14 15  1  0  0  0  0
 14 49  1  0  0  0  0
 14 50  1  0  0  0  0
 15 16  1  0  0  0  0
 15 51  1  0  0  0  0
 15 52  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 28  1  0  0  0  0
 18 29  1  0  0  0  0
 19 20  1  0  0  0  0
 19 53  1  0  0  0  0
 20 21  1  0  0  0  0
 20 54  1  0  0  0  0
 20 55  1  0  0  0  0
 21 22  1  0  0  0  0
 21 56  1  0  0  0  0
 21 57  1  0  0  0  0
 22 23  1  0  0  0  0
 22 27  1  0  0  0  0
 23 24  1  0  0  0  0
 23 26  1  0  0  0  0
 24 25  1  0  0  0  0
 24 58  1  0  0  0  0
 24 59  1  0  0  0  0
 25 60  1  0  0  0  0
 25 61  1  0  0  0  0
 26 62  1  0  0  0  0
 26 63  1  0  0  0  0
 26 64  1  0  0  0  0
 27 65  1  0  0  0  0
 27 66  1  0  0  0  0
 27 67  1  0  0  0  0
 28 68  1  0  0  0  0
 28 69  1  0  0  0  0
 28 70  1  0  0  0  0
 29 71  1  0  0  0  0
 29 72  1  0  0  0  0
 29 73  1  0  0  0  0
 30 74  1  0  0  0  0
 30 75  1  0  0  0  0
 30 76  1  0  0  0  0
 31 77  1  0  0  0  0
 31 78  1  0  0  0  0
 31 79  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2022-07-26, 1012👍, 0💬