Molecule FYI-1007246

A

Molecule Summary:

ID: FYI-1007246
Names:
InChIKey: DNRUBXBYBLAADS-ZVBRDLDKSA-N
SMILES: C=C[C@]4(C)CCC1C(=C[C@H]2OC(=O)[C@@]3(C)CCC[C@@]1(CO)C23)C4

Received at FYIcenter.com on: 2024-02-10

Molecule ID: FYI-1007246 Edit

Molecule Structure InChIKey: DNRUBXBYBLAADS-ZVBRDLDKSA-N

Molecule Structure SMILES String: C=C[C@]4(C)CCC1C(=C[C@H]2OC(=O)[C@@]3(C)CCC[C@@]1(CO)C23)C4

Download SDF Download SVG Structure in 2D SDF:

FYI-1007246
FYIcenter.com

 23 26  0  0  1  0  0  0  0  0999 V2000
    5.8877    6.2335    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    8.1018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7102    6.9134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5326    6.2335    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5326    4.8738    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7102    4.1940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7102    2.8343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5326    2.1544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3551    2.8343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1775    2.1544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.8432    0.9688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8891    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1243    0.5133    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3201    6.7022    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9866    7.9018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2540    6.4183    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  8 20  1  1  0  0  0
  1 21  1  1  0  0  0
 21 22  2  0  0  0  0
 16 23  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007246-3D
FYIcenter.com

 51 54  0  0  1  0  0  0  0  0999 V2000
    4.3303    1.1007   -0.8982 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2086    1.9267   -0.2997 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7358    1.8112   -0.3976 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.1265    0.7385    0.6281 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5344    3.0990   -0.0456 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1726    4.2898   -0.9339 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2412    4.0696   -2.4761 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.6691    2.6514   -2.7511 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6882    2.4192   -3.6312 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1768    3.4076   -4.5960 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.9351    4.0313   -4.2799 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9312    5.2766   -4.8978 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0054    6.0667   -4.8499 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2433    5.4555   -5.6561 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8969    4.9008   -7.0614 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9483    6.7961   -5.8697 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6150    7.4326   -4.6532 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4251    6.4235   -3.7957 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5153    5.2380   -3.3444 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.3926    5.9162   -2.4500 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9603    6.6942   -1.3791 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0989    4.5748   -4.7518 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.1699    1.5128   -1.8507 C   0  0  0  0  0  0  0  0  0  0  0  0
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 15 39  1  0  0  0  0
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 23 50  1  0  0  0  0
 23 51  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2024-02-18, 1459👍, 0💬