Molecule Editor

Molecule ID: FYI-1003555 Edit

Molecule Structure InChIKey: WCGUUGGRBIKTOS-UHFFFAOYSA-N

Molecule Structure SMILES String: CC5CCC4(C(=O)O)CCC3(C)C(=CCC2C1(C)CCC(O)C(C)(C)C1CCC23C)C4C5C

Download SDF Download SVG Structure in 2D SDF:

FYI-1003555
FYIcenter.com

 33 37  0  0  0  0  0  0  0  0999 V2000
    5.9979   12.4665    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7983   11.7739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.3992   11.7739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3992   10.3887    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1996    9.6961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.3992    7.6184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.9979    9.6961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0403    6.7106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1996   11.0813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1996   12.4665    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   10.3887    0.0000 O   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  3  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
 10  9  2  0  0  0  0
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 13  8  1  0  0  0  0
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 27  9  1  0  0  0  0
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 28 27  1  0  0  0  0
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 29 28  1  0  0  0  0
 30  8  1  0  0  0  0
 31  5  1  0  0  0  0
 32 31  2  0  0  0  0
 33 31  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1003555-3D
FYIcenter.com

 81 85  0  0  1  0  0  0  0  0999 V2000
    0.4633   -0.9373    0.2774 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5658    0.0144   -0.1499 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.2128    1.4445    0.2648 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1619    2.3996   -0.4382 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$