Molecule FYI-1007248

A

Molecule Summary:

ID: FYI-1007248
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-1007248 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-1007248
FYIcenter.com

 23 26  0  0  1  0  0  0  0  0999 V2000
   10.8022    4.2748    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5927    4.9731    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3833    4.2748    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5927    3.5765    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3833    2.8783    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1739    2.1800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9643    2.8783    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9643    4.2748    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7549    4.9731    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5455    4.2748    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2173    4.7063    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    3.5765    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.2626    0.1869    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.7549    2.1800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.1739    4.9731    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 22 14  1  0  0  0  0
 23  8  1  0  0  0  0
 23  3  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007248-3D
FYIcenter.com

 51 54  0  0  1  0  0  0  0  0999 V2000
    0.9267    1.1441   -0.9705 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2495    2.2851   -1.1238 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3259    3.3381   -2.2319 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.9364    3.1166   -3.0803 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5371    3.3663   -3.1999 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8805    3.5910   -2.5051 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9636    4.7986   -1.5239 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.6493    4.8162   -0.7327 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5998    4.8347    0.6167 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7653    5.1176    1.4833 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.3485    4.0025    2.1559 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6932    4.3013    2.3704 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.9919    5.6804    1.7937 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.7508    6.6182    3.0079 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3463    6.0879    1.1853 C   0  0  0  0  0  0  0  0  0  0  0  0
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 23 51  1  0  0  0  0
M  END
$$$$

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2024-02-18, 1483👍, 0💬