Molecule FYI-1014239

A

Molecule Summary:

ID: FYI-1014239
Names:
InChIKey: MCHKKYSPJGWAHQ-GVUJOROXSA-N
SMILES: CC1(C)[C@@H](O)CC[C@@]2(C)C1CC[C@]5(C)C2CC=C4C3C[C@](C)(C(=O)O)CC[C@]3(C(=O)O)CC[C@]45C

Received at FYIcenter.com on: 2025-03-15

Molecule ID: FYI-1014239 Edit

Molecule Structure InChIKey: MCHKKYSPJGWAHQ-GVUJOROXSA-N

Molecule Structure SMILES String: CC1(C)[C@@H](O)CC[C@@]2(C)C1CC[C@]5(C)C2CC=C4C3C[C@](C)(C(=O)O)CC[C@]3(C(=O)O)CC[C@]45C

Download SDF Download SVG Structure in 2D SDF:

FYI-1014239
FYIcenter.com

 35 39  0  0  1  0  0  0  0  0999 V2000
   12.1044    9.0850    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8939    8.3861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6835    9.0850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4731    8.3861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2627    9.0850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0521    8.3861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0521    6.9884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8417    6.2896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6313    6.9884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4209    6.2896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4209    4.8919    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2104    4.1931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2104    2.7954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4209    2.0965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6313    2.7954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6313    4.1931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8417    4.8919    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0521    4.1931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2627    4.8919    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2627    6.2896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4731    6.9884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6835    6.2896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8939    6.9884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4731    5.5908    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4209    0.6988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6313    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2104    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6313    1.3977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2104    5.5908    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2104    6.9884    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.8919    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6714    7.4247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5946    7.9344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3823   10.2954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9846   10.2954    0.0000 C   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
  8  7  1  0  0  0  0
  9  8  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
 14 13  1  0  0  0  0
 15 14  1  0  0  0  0
 16 15  1  0  0  0  0
 16 11  1  0  0  0  0
 17 16  1  0  0  0  0
 17  8  1  0  0  0  0
 18 17  2  0  0  0  0
 19 18  1  0  0  0  0
 20 19  1  0  0  0  0
 20  7  1  0  0  0  0
 21 20  1  0  0  0  0
 21  4  1  0  0  0  0
 22 21  1  0  0  0  0
 23 22  1  0  0  0  0
 23  2  1  0  0  0  0
 21 24  1  1  0  0  0
 25 14  1  0  0  0  0
 26 25  2  0  0  0  0
 27 25  1  0  0  0  0
 14 28  1  1  0  0  0
 11 29  1  1  0  0  0
 30 29  2  0  0  0  0
 31 29  1  0  0  0  0
  8 32  1  6  0  0  0
  7 33  1  1  0  0  0
 34  3  1  0  0  0  0
 35  3  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1014239-3D
FYIcenter.com

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