Molecule Editor

Molecule ID: FYI-1015017 Edit

Molecule Structure InChIKey: HMWSKUKBAWWOJL-KCQAQPDRSA-N

Molecule Structure SMILES String: CC2=CC[C@H]1C(C)(C)CCC[C@]1(C)[C@H]2CO

Download SDF Download SVG Structure in 2D SDF:

FYI-1015017
FYIcenter.com

 16 17  0  0  1  0  0  0  0  0999 V2000
    1.2124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7622    1.5876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4622    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.5000    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  3  1  0  0  0  0
  5  4  1  6  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  7  2  1  0  0  0  0
  7  8  1  6  0  0  0
  9  8  1  0  0  0  0
 10  6  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  5  1  0  0  0  0
 14 13  1  0  0  0  0
 15 13  1  0  0  0  0
  6 16  1  6  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1015017-3D
FYIcenter.com

 42 43  0     1  0  0  0  0  0999 V2000
    3.7690   -1.2196    0.4994 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0708   -0.6216   -0.2440 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.8145    0.5784    0.2581 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.3764    0.4075    0.1852 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5406   -0.3783    0.3159 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.4868   -1.9482    0.3365 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7737   -0.9827    0.7360 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2980    1.9091   -0.3273 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9852   -2.1303    0.1207 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1217   -0.7381   -1.7884 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0311    1.0570    0.1081 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0511    1.4650    1.0991 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9880    0.6044   -1.2160 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1888    2.0587   -0.2022 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5597   -1.4103   -0.2027 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4921    1.3489    0.3217 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6071    0.6353    1.3410 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5009   -0.4976    1.4101 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2883   -1.9873    1.4159 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0305   -2.8101   -0.1008 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8458   -1.1611    0.5823 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6160   -1.0040    1.8231 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7586    2.7490    0.2039 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5636    2.0145   -1.3840 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2134   -2.2296   -0.9453 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3001   -3.0702    0.5897 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6851   -1.6248   -2.0999 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8625   -0.8499   -2.2379 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5998    0.1260   -2.2589 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1309    1.2889    1.1746 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9168    2.4810    0.7141 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6438    1.4333    2.1159 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7173    1.5715   -1.6499 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0839    0.5819   -1.1625 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7096   -0.1766   -1.9219 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5765    3.0640   -0.3491 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7720   -1.2751   -1.2675 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2326   -2.4404   -0.0413 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8218    1.0220    1.3127 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6874    2.4281    0.2881 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1121    0.9117   -0.4663 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6092   -1.4451    1.4319 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 15  1  0  0  0  0
  1 42  1  0  0  0  0
  2  3  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  2 10  1  0  0  0  0
  3  4  1  0  0  0  0
  3  8  1  0  0  0  0
  3 17  1  0  0  0  0
  4  7  1  0  0  0  0
  4 12  1  0  0  0  0
  4 13  1  0  0  0  0
  5 11  1  0  0  0  0
  5 15  1  0  0  0  0
  5 18  1  0  0  0  0
  6  9  1  0  0  0  0
  6 19  1  0  0  0  0
  6 20  1  0  0  0  0
  7  9  1  0  0  0  0
  7 21  1  0  0  0  0
  7 22  1  0  0  0  0
  8 14  1  0  0  0  0
  8 23  1  0  0  0  0
  8 24  1  0  0  0  0
  9 25  1  0  0  0  0
  9 26  1  0  0  0  0
 10 27  1  0  0  0  0
 10 28  1  0  0  0  0
 10 29  1  0  0  0  0
 11 14  2  0  0  0  0
 11 16  1  0  0  0  0
 12 30  1  0  0  0  0
 12 31  1  0  0  0  0
 12 32  1  0  0  0  0
 13 33  1  0  0  0  0
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 13 35  1  0  0  0  0
 14 36  1  0  0  0  0
 15 37  1  0  0  0  0
 15 38  1  0  0  0  0
 16 39  1  0  0  0  0
 16 40  1  0  0  0  0
 16 41  1  0  0  0  0
M  END
$$$$