Molecule FYI-1007247

A

Molecule Summary:

ID: FYI-1007247
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-1007247 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-1007247
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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 23  8  1  0  0  0  0
 23  3  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007247-3D
FYIcenter.com

 51 54  0  0  1  0  0  0  0  0999 V2000
    2.4653    4.4036   -2.0634 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2334    4.1418   -2.5402 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1299    3.2647   -1.7576 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.7844    2.1287   -2.6385 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3695    2.7049   -1.9674 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0993    3.2997   -3.1651 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5388    4.7464   -2.8659 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.2914    5.4666   -2.3341 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9628    6.7148   -2.7261 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8783    7.6072   -3.4950 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.5090    7.8778   -4.8431 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$

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2024-02-18, 949👍, 0💬