Molecule FYI-1004477

A

Molecule Summary:

ID: FYI-1004477
Names:
InChIKey: CRBWEDKDTOOHHE-UHFFFAOYSA-N
SMILES: CC(C)C14CCC2(C)C(O)C1OC3C(O)C(O)C(O)C2C34

Received at FYIcenter.com on: 2023-09-07

Molecule ID: FYI-1004477 Edit

Molecule Structure InChIKey: CRBWEDKDTOOHHE-UHFFFAOYSA-N

Molecule Structure SMILES String: CC(C)C14CCC2(C)C(O)C1OC3C(O)C(O)C(O)C2C34

Download SDF Download SVG Structure in 2D SDF:

FYI-1004477
FYIcenter.com

 21 24  0  0  0  0  0  0  0  0999 V2000
    6.5513    4.0427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5940    4.7079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.3466    4.0427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.0315    5.9037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0210    5.0782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1540    3.8123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 20 19  1  0  0  0  0
 21  7  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1004477-3D
FYIcenter.com

 47 50  0  0  1  0  0  0  0  0999 V2000
    2.5924    0.7062   -0.8801 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7134    0.8309    0.6949 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0635   -0.5696    1.2028 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5095    2.1692    1.8219 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.8027    2.0503    1.0915 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4181    2.6190   -0.2724 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0711    3.4821    0.0121 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.5919    4.2769   -1.2133 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2017    4.5656    0.8038 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.1494    5.9262    0.5613 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5279    4.0673    1.9503 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.3249    4.5001    3.2897 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9853    4.0360    3.2516 C   0  0  3  0  0  0  0  0  0  0  0  0
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    0.2057    4.6034    4.8488 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0541    2.4988    3.6086 C   0  0  3  0  0  0  0  0  0  0  0  0
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M  END
$$$$

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2023-09-10, 963👍, 0💬