Molecule FYI-1009599

Home > Molecule

A

Molecule Summary:

ID: FYI-1009599
Names:
InChIKey: XBWACJDEQIZTPR-UHFFFAOYSA-N
SMILES: CC(C)C1CCC4(C)C2CC3C(C12)C34C

Received at FYIcenter.com on: 2024-05-16

Molecule ID: FYI-1009599 Edit

Molecule Structure InChIKey: XBWACJDEQIZTPR-UHFFFAOYSA-N

Molecule Structure SMILES String: CC(C)C1CCC4(C)C2CC3C(C12)C34C

Download SDF Download SVG Structure in 2D SDF:

FYI-1009599
FYIcenter.com

 15 18  0  0  0  0  0  0  0  0999 V2000
    5.3866    3.9512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3162    4.5691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3162    5.8050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2460    3.9512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1630    4.5466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1058    3.9064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0502    2.3881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1960    2.9715    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2108    2.2661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8535    1.0830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6695    1.1244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2580    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5277    1.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4997    0.5310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.9801    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  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
  9  8  1  0  0  0  0
  9  4  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
 11  7  1  0  0  0  0
 12 11  1  0  0  0  0
 12 10  1  0  0  0  0
 13 12  1  0  0  0  0
 13  8  1  0  0  0  0
 14 11  1  0  0  0  0
 15  7  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1009599-3D
FYIcenter.com

 39 42  0  0  1  0  0  0  0  0999 V2000
    2.8563    1.2536    1.3617 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4119    0.0819    0.4687 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8764    0.0170    0.5089 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9763    0.1985   -0.9911 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.5010   -0.9319   -1.9228 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4857   -2.0626   -2.2267 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9684   -1.7292   -2.1097 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.7865   -2.6935   -2.9810 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2131   -0.1892   -2.3585 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.7157    0.0115   -1.9881 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6314   -0.6867   -0.6559 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.2903   -0.3821   -0.0800 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.5006    0.4361   -1.0837 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.5345   -1.7207   -0.6830 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.5407   -2.9264    0.1861 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2473    1.3167    2.2697 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7778    2.2092    0.8366 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8842    1.1441    1.7055 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7804   -0.8503    0.9186 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4263    0.7932   -0.1180 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5019    0.1523    1.5310 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5047   -0.9574    0.1796 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5151    1.1082   -1.4062 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2443   -0.4626   -2.8844 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5620   -1.3810   -1.5892 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2775   -2.3616   -3.2661 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2388   -2.9379   -1.6195 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5537   -2.5655   -4.0457 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5573   -3.7305   -2.7083 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8680   -2.5825   -2.8545 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9038    0.2065   -3.3292 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9828    1.0675   -1.8848 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4066   -0.4769   -2.6782 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5115   -0.7770   -0.0448 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2126   -0.2029    0.9701 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7364    1.5026   -0.9816 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8061   -2.6713    1.2188 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2651   -3.6617   -0.1780 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5548   -3.3965    0.2114 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 16  1  0  0  0  0
  1 17  1  0  0  0  0
  1 18  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2 19  1  0  0  0  0
  3 20  1  0  0  0  0
  3 21  1  0  0  0  0
  3 22  1  0  0  0  0
  4  5  1  0  0  0  0
  4 13  1  0  0  0  0
  4 23  1  0  0  0  0
  5  6  1  0  0  0  0
  5 24  1  0  0  0  0
  5 25  1  0  0  0  0
  6  7  1  0  0  0  0
  6 26  1  0  0  0  0
  6 27  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 14  1  0  0  0  0
  8 28  1  0  0  0  0
  8 29  1  0  0  0  0
  8 30  1  0  0  0  0
  9 10  1  0  0  0  0
  9 13  1  0  0  0  0
  9 31  1  0  0  0  0
 10 11  1  0  0  0  0
 10 32  1  0  0  0  0
 10 33  1  0  0  0  0
 11 12  1  0  0  0  0
 11 14  1  0  0  0  0
 11 34  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 12 35  1  0  0  0  0
 13 36  1  0  0  0  0
 14 15  1  0  0  0  0
 15 37  1  0  0  0  0
 15 38  1  0  0  0  0
 15 39  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2024-05-16, 241👍, 0💬