Molecule Editor

Molecule ID: FYI-1000221 Edit

Molecule Structure SMILES String: CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C

Download SDF Download SVG Structure in 2D SDF:

FYI-1000221
FYIcenter.com

 28 31  0  0  0  0  0  0  0  0999 V2000
   11.0251    9.3812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8126   10.0812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8126   11.4812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6002    9.3812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3878   10.0812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1754    9.3812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9629   10.0812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9629   11.4812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7505    9.3812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4716    9.9506    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5347    8.9103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2347    7.6979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6042    7.9889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5409    6.9485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1083    5.6171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7388    5.3260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8021    6.3663    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4327    6.0753    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.7438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9369    3.7034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3062    3.9945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2431    2.9541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8104    1.6226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4410    1.3315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5043    2.3719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0084    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6757    4.2855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9356    8.4215    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  7  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
 13  9  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  1  0  0  0  0
 17 12  1  0  0  0  0
 18 17  1  0  0  0  0
 19 18  1  0  0  0  0
 20 19  2  0  0  0  0
 21 20  1  0  0  0  0
 21 16  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
 25 24  1  0  0  0  0
 25 20  1  0  0  0  0
 26 24  1  0  0  0  0
 27 21  1  0  0  0  0
 28 13  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1000221-3D
FYIcenter.com

 74 77  0  0  1  0  0  0  0  0999 V2000
   11.0692    3.2147   -0.1971 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9921    2.9142    0.8604 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5749    4.1953    1.5616 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7606    2.1990    0.2577 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6511    1.7634    1.2581 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5075    2.7222    1.8758 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9400    3.3738    1.1395 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.2428    2.3117    0.4149 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9237    5.0431    2.0634 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.9540    4.8454    3.6958 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4630    5.0371    4.1449 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7085    5.0387    2.8000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.5932    6.0298    2.0226 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.7723    6.4089    0.7883 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5012    5.7787   -0.3195 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3631    4.3004    0.0142 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.9356    3.6973    1.9019 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.7259    1.9254    2.3652 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8449    1.0738    1.0670 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1777    1.5834   -0.3325 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5311    3.1844   -1.1374 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.8528    2.6447   -2.4557 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8840    1.8638   -3.2970 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1738    0.5041   -2.6704 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.8514    0.6299   -1.3044 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0200   -0.2401   -3.5507 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6296    4.1717   -1.7381 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0073    7.4134    2.5873 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8510    3.8677    0.2127 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6515    3.7100   -1.0789 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5693    2.2965   -0.5274 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4637    2.2529    1.6005 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8467    4.7471    0.9583 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4272    4.8500    1.7594 H   0  0  0  0  0  0  0  0  0  0  0  0
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    7.0305    3.6186    2.2164 H   0  0  0  0  0  0  0  0  0  0  0  0
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    5.8355    5.5667    1.7561 H   0  0  0  0  0  0  0  0  0  0  0  0
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    3.1028    4.2728    4.8384 H   0  0  0  0  0  0  0  0  0  0  0  0
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 21 27  1  0  0  0  0
 22 23  1  0  0  0  0
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 23 24  1  0  0  0  0
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 24 25  1  0  0  0  0
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 28 74  1  0  0  0  0
M  END
$$$$