Molecule Editor

Molecule ID: FYI-1015341 Edit

Molecule Structure InChIKey: AJULRUMEMZKBQI-UHFFFAOYSA-N

Molecule Structure SMILES String: CC(=O)C1CC(=O)C2(C)C4=C(C(=O)CC12C)C3(C)CCC(=O)C(C)(C)C3CC4O

Download SDF Download SVG Structure in 2D SDF:

FYI-1015341
FYIcenter.com

 29 32  0  0  0  0  0  0  0  0999 V2000
    7.0026    9.3812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7901   10.0812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7901   11.4812    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5777    9.3812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2988    9.9506    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3620    8.9102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9696    9.0566    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0620    7.6977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6696    7.5515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6294    6.3663    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5662    5.3259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9355    5.6170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.1335    3.9945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.0703    2.9540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.2683    1.3315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8357    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    2.8045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2911    1.4351    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7641    3.7034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8273    4.7437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2599    6.0752    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3231    7.1156    0.0000 O   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  2  0  0  0  0
  8  6  1  0  0  0  0
  9  8  1  0  0  0  0
 10  8  1  0  0  0  0
 11 10  2  0  0  0  0
 12 11  1  0  0  0  0
 13 12  2  0  0  0  0
 14 12  1  0  0  0  0
 15 14  1  0  0  0  0
 15  4  1  0  0  0  0
 15  8  1  0  0  0  0
 16 15  1  0  0  0  0
 17 11  1  0  0  0  0
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 19 17  1  0  0  0  0
 20 19  1  0  0  0  0
 21 20  1  0  0  0  0
 22 21  2  0  0  0  0
 23 21  1  0  0  0  0
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 26 17  1  0  0  0  0
 27 26  1  0  0  0  0
 28 27  1  0  0  0  0
 28 10  1  0  0  0  0
 29 28  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1015341-3D
FYIcenter.com

 61 64  0  0  1  0  0  0  0  0999 V2000
    0.2426   -0.8283    0.4704 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6522   -0.3155    0.4095 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9236    0.5884   -0.3815 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7025   -0.8544    1.4284 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.4658   -0.0597    2.6908 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0252    1.2538    2.2029 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5276    2.3142    2.5511 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3406    1.0593    1.3386 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.3593    1.5800    2.3841 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5159    1.8191   -0.0305 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0122    1.2526   -1.1831 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5126   -0.0963   -0.9625 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6305   -0.4579   -1.3090 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5062   -1.0262   -0.3264 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2148   -0.5286    1.1021 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.1922   -1.3252    1.9807 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7651    1.6583   -2.6899 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.7848    0.5198   -3.1650 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8350    1.5142   -3.9120 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1750    2.6322   -4.9312 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9346    3.9885   -4.4560 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5454    4.9353   -4.9745 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0022    4.1519   -3.3037 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$