Molecule FYI-1012371

A

Molecule Summary:

ID: FYI-1012371
Names:
InChIKey: WGLLNBXQHLWMOQ-LMJRSMMMSA-N
SMILES: CCCCCCCCCCCCCC(=O)OCC5OC(O[C@H]4CC[C@@]1(C)C(=CC[C@@H]2[C@@H]1CC[C@]3(C)[C@@H]([C@H](C)CCCC(C)C)CC[C@@H]23)C4)C(O)C(O)C5O

Received at FYIcenter.com on: 2024-09-01

Molecule ID: FYI-1012371 Edit

Molecule Structure InChIKey: WGLLNBXQHLWMOQ-LMJRSMMMSA-N

Molecule Structure SMILES String: CCCCCCCCCCCCCC(=O)OCC5OC(O[C@H]4CC[C@@]1(C)C(=CC[C@@H]2[C@@H]1CC[C@]3(C)[C@@H]([C@H](C)CCCC(C)C)CC[C@@H]23)C4)C(O)C(O)C5O

Download SDF Download SVG Structure in 2D SDF:

FYI-1012371
FYIcenter.com

 54 58  0  0  1  0  0  0  0  0999 V2000
   23.0362    9.9158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   19.3989   10.6157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1865    9.9158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741   10.6157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    9.9158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492   10.6157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9120    9.9158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995   10.6157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2747   10.6157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747   12.0157    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    9.9158    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2124    9.9158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4249    7.8158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    8.5158    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.4158    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    5.7158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    6.4158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    5.7158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2747    3.6158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    4.3158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    3.6158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4871    1.5158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    2.2158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    1.5158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.2158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.6158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.7781    0.1464    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.1093    1.5701    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0461    0.5296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5419    2.9015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9113    3.1926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3439    4.5241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7133    4.8151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6502    3.7748    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1460    6.1467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9785    2.7852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    5.0158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.8158    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   10.6157    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249   12.0157    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  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
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 28 27  1  0  0  0  0
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 34 35  1  6  0  0  0
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 32 50  1  1  0  0  0
 28 51  1  1  0  0  0
 52 21  1  0  0  0  0
 53 20  1  0  0  0  0
 54 19  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1012371-3D
FYIcenter.com

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