Molecule FYI-1007085

A

Molecule Summary:

ID: FYI-1007085
Names:
InChIKey: XTPQLZKIJPSEGN-DKERPBHKSA-N
SMILES: CC4=C[C@@H]3CC2[C@H](C=C1CC(O)CCC1[C@H]2C)CCC3C[C@]46O[C@@H]5C[C@H](C)CN[C@H]5[C@H]6C

Received at FYIcenter.com on: 2024-01-29

Molecule ID: FYI-1007085 Edit

Molecule Structure InChIKey: XTPQLZKIJPSEGN-DKERPBHKSA-N

Molecule Structure SMILES String: CC4=C[C@@H]3CC2[C@H](C=C1CC(O)CCC1[C@H]2C)CCC3C[C@]46O[C@@H]5C[C@H](C)CN[C@H]5[C@H]6C

Download SDF Download SVG Structure in 2D SDF:

FYI-1007085
FYIcenter.com

 32 37  0  0  1  0  0  0  0  0999 V2000
    2.6566   17.4968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2240   16.1652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1608   15.1249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7282   13.7933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3588   13.5023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124   12.1100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4914   11.5406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4282   12.5809    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4510   10.6037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7420    9.2344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0736    8.8018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1139    9.7385    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8228   11.1078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8633   12.0447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   11.4100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4220   14.5427    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8546   15.8741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5737    8.4631    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4483    7.0687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4602    6.1013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8475    6.2893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5655    7.4911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9294    4.8058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7858    3.6984    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1731    3.8863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7040    5.1818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0913    5.3698    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2550    2.4029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1114    1.2954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4987    1.4834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0296    2.7789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5806    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  1  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
  7  8  1  6  0  0  0
  4  8  1  1  0  0  0
  9  7  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  6  0  0  0
 12 11  1  0  0  0  0
 13 12  2  0  0  0  0
 13  7  1  0  0  0  0
 14 13  1  0  0  0  0
  6 15  1  6  0  0  0
  5 16  1  6  0  0  0
 17 16  1  0  0  0  0
 17  2  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  6  0  0  0
 21 22  1  0  0  0  0
 11 22  1  0  0  0  0
 10 18  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 21 26  1  0  0  0  0
 20 23  1  0  0  0  0
 26 27  1  6  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 25 31  1  0  0  0  0
 24 28  1  0  0  0  0
 29 32  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007085-3D
FYIcenter.com

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