Molecule FYI-1001569

A

Molecule Summary:

ID: FYI-1001569
SMILES: O[C@H]1CC[C@@]2(C)[C@@H](CC[C@@]3(C)[C@]4(C)CC[C@]5(C)CC[C@](C)(C[C@H]5C4=CC(=O)[C@@H]23)C(=O)O)C1(C)C

Received at FYIcenter.com on: 2022-09-13

Molecule ID: FYI-1001569 Edit

Molecule Structure SMILES String: O[C@H]1CC[C@@]2(C)[C@@H](CC[C@@]3(C)[C@]4(C)CC[C@]5(C)CC[C@](C)(C[C@H]5C4=CC(=O)[C@@H]23)C(=O)O)C1(C)C

Download SDF Download SVG Structure in 2D SDF:

FYI-1001569
FYIcenter.com

 34 38  0  0  1  0  0  0  0  0999 V2000
    0.0000    9.0035    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1995    8.3109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1995    6.9257    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3992    6.2332    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5987    6.9257    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5987    5.5406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5987    8.3109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7983    9.0035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9978    8.3109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9978    6.9257    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5438    7.6183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1975    6.2332    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0849    7.8697    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3970    6.9257    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5966    6.2332    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5966    4.8480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7962    5.5406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7962    4.1554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7962    2.7703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5966    2.0777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7962    1.3851    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3970    2.7703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3970    4.1554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1975    4.8480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9978    4.1554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7983    4.8480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5987    4.1554    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7983    6.2332    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5966    0.6926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7962    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3970    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3992    9.0035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0918   10.2030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7066   10.2030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  6  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  5  6  1  6  0  0  0
  7  5  1  0  0  0  0
  7  8  1  6  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 10 11  1  6  0  0  0
 12 10  1  0  0  0  0
 12 13  1  1  0  0  0
 14 12  1  0  0  0  0
 15 14  1  0  0  0  0
 16 15  1  0  0  0  0
 16 17  1  1  0  0  0
 18 16  1  0  0  0  0
 19 18  1  0  0  0  0
 20 19  1  0  0  0  0
 20 21  1  6  0  0  0
 22 20  1  0  0  0  0
 23 22  1  1  0  0  0
 23 16  1  0  0  0  0
 24 23  1  0  0  0  0
 24 12  1  0  0  0  0
 25 24  2  0  0  0  0
 26 25  1  0  0  0  0
 27 26  2  0  0  0  0
 28 26  1  1  0  0  0
 28  5  1  0  0  0  0
 28 10  1  0  0  0  0
 29 20  1  0  0  0  0
 30 29  2  0  0  0  0
 31 29  1  0  0  0  0
 32  7  1  0  0  0  0
 32  2  1  0  0  0  0
 33 32  1  0  0  0  0
 34 32  1  0  0  0  0
M  END
$$$$

Molecule Structure in 3D: Not available

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2022-10-07, 1965👍, 0💬