Molecule FYI-1006228

A

Molecule Summary:

ID: FYI-1006228
Names:
InChIKey: RJKFOVLPORLFTN-LEKSSAKUSA-N
SMILES: CC(=O)[C@H]3CC[C@H]4[C@@H]2CCC1=CC(=O)CC[C@]1(C)[C@H]2CC[C@]34C

Received at FYIcenter.com on: 2023-12-05

Molecule ID: FYI-1006228 Edit

Molecule Structure InChIKey: RJKFOVLPORLFTN-LEKSSAKUSA-N

Molecule Structure SMILES String: CC(=O)[C@H]3CC[C@H]4[C@@H]2CCC1=CC(=O)CC[C@]1(C)[C@H]2CC[C@]34C

Download SDF Download SVG Structure in 2D SDF:

FYI-1006228
FYIcenter.com

 23 26  0  0  1  0  0  0  0  0999 V2000
    6.1753    9.3812    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7504    9.3812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4715    9.9506    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5347    8.9102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2347    7.6978    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9628   11.4812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8021    6.3664    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9628   10.0812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4326    6.0752    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.7438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9368    3.7034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5042    2.3719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.2430    2.9540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3062    3.9945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6041    7.9889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 23 22  1  0  0  0  0
 23  2  1  0  0  0  0
 23  5  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1006228-3D
FYIcenter.com

 53 56  0     1  0  0  0  0  0999 V2000
    5.5193   -0.1943   -0.6738 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0868   -0.2507    1.0003 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4339    0.9512    0.3837 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.3077   -0.2438   -0.0536 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.0467    0.9463   -0.2670 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.6905   -0.3711    0.1300 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.1518   -0.4560   -0.4583 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6031    0.0988    0.7150 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.6068   -1.5287    0.4072 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1769   -1.6282   -0.1541 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.5671   -0.3066   -1.5816 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$

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2023-12-10, 1193👍, 0💬