Molecule FYI-1007245

A

Molecule Summary:

ID: FYI-1007245
Names:
InChIKey: XFZGGBAFQYYSAO-MGLLKOEKSA-N
SMILES: C=C[C@]4(C)CCC1C(=C[C@H]2OC(=O)[C@@]3(C)CCC[C@@]1(C)C23)C4

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

Molecule ID: FYI-1007245 Edit

Molecule Structure InChIKey: XFZGGBAFQYYSAO-MGLLKOEKSA-N

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

Download SDF Download SVG Structure in 2D SDF:

FYI-1007245
FYIcenter.com

 22 25  0  0  1  0  0  0  0  0999 V2000
    6.0622    6.4183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2333    8.3420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    7.1183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    6.4183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    5.0183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    4.3183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.9183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.2183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.9183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.2183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.5183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4249    5.7183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    5.0183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8978    0.9975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.2169    0.5285    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5371    6.9009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2234    8.1361    0.0000 C   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
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007245-3D
FYIcenter.com

 50 53  0  0  1  0  0  0  0  0999 V2000
    3.9167    5.6537    0.0839 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0559    4.8917   -1.0036 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3226    4.2413   -1.5736 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.2985    2.7891   -1.0683 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7028    4.8551   -1.2237 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8525    6.3144   -1.6654 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4753    6.6219   -3.1499 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.2421    5.7908   -3.5359 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1640    6.3099   -4.1546 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1179    7.6699   -4.7509 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.3373    8.6300   -4.0371 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9025    9.8819   -4.2565 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4822   10.9217   -3.7736 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0774    9.7330   -5.2103 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.4180    9.9190   -6.6034 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3110   10.6388   -5.1745 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2517   10.4747   -3.9824 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5677    8.9980   -3.6536 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2632    8.1855   -3.4402 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.5971    8.8211   -2.1730 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4750    8.3103   -4.8238 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.2274    4.3269   -3.1130 C   0  0  0  0  0  0  0  0  0  0  0  0
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 22 50  1  0  0  0  0
M  END
$$$$

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2024-02-18, 184👍, 0💬