Molecule FYI-1004775

A

Molecule Summary:

ID: FYI-1004775
Names:
InChIKey: OJSKJQFODPKTBT-MSYPJMGYSA-N
SMILES: C=C[C@@]3(C)C=C2CCC1[C@@](C)(CO)[C@H](O)CC[C@@]1(C)[C@@H]2CC3

Received at FYIcenter.com on: 2023-09-23

Molecule ID: FYI-1004775 Edit

Molecule Structure InChIKey: OJSKJQFODPKTBT-MSYPJMGYSA-N

Molecule Structure SMILES String: C=C[C@@]3(C)C=C2CCC1[C@@](C)(CO)[C@H](O)CC[C@@]1(C)[C@@H]2CC3

Download SDF Download SVG Structure in 2D SDF:

FYI-1004775
FYIcenter.com

 22 24  0  0  1  0  0  0  0  0999 V2000
    4.8498    8.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6373    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125   10.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2125    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6373    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 12 22  1  0  0  0  0
 12  3  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1004775-3D
FYIcenter.com

 54 56  0  0  1  0  0  0  0  0999 V2000
    3.0808    0.8527   -1.0798 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6783   -0.0799   -0.2094 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4916   -0.7497    0.9075 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.9747   -0.3543    0.8949 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9872   -0.1771    2.1905 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3521   -0.8060    3.1784 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7811    0.0880    4.2599 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7040   -0.6152    5.5739 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2237   -2.0533    5.4569 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.3583   -2.4161    5.1471 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.1561   -1.1586    4.7895 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.5165   -3.6267    2.8059 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6421   -3.1314    6.4704 C   0  0  2  0  0  0  0  0  0  0  0  0
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    0.4261   -4.3227    6.4874 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5209   -4.3905    5.2170 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6123   -3.0238    5.0542 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0386   -2.3180    3.1802 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.7695   -3.0831    2.0530 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3098   -2.2869    0.8301 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4027    0.9806    4.3959 H   0  0  0  0  0  0  0  0  0  0  0  0
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    1.4636   -2.3179    6.4971 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
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  2 25  1  0  0  0  0
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  4 26  1  0  0  0  0
  4 27  1  0  0  0  0
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 22 54  1  0  0  0  0
M  END
$$$$

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2023-10-05, 2556👍, 0💬