Molecule FYI-1003822

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A

Molecule Summary:

ID: FYI-1003822
Names:
InChIKey: XGEWXQPYPMTSBD-UHFFFAOYSA-N
SMILES: CC1CCCC24CC3C(CC12C)C3(C)C4

Received at FYIcenter.com on: 2023-07-28

Molecule ID: FYI-1003822 Edit

Molecule Structure InChIKey: XGEWXQPYPMTSBD-UHFFFAOYSA-N

Molecule Structure SMILES String: CC1CCCC24CC3C(CC12C)C3(C)C4

Download SDF Download SVG Structure in 2D SDF:

FYI-1003822
FYIcenter.com

 15 18  0  0  0  0  0  0  0  0999 V2000
    5.6570    3.2354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3502    3.3877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1043    4.6802    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8621    5.1134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8658    4.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5819    3.1465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8837    2.3438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8658    1.0283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9126    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4477    1.2018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6535    2.2943    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1393    1.0643    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6043    2.2661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.4065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1685    2.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  7  2  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
 11  6  1  0  0  0  0
 12 10  1  0  0  0  0
 12  9  1  0  0  0  0
 13 12  1  0  0  0  0
 13  6  1  0  0  0  0
 14 12  1  0  0  0  0
 15  7  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1003822-3D
FYIcenter.com

 39 42  0  0  1  0  0  0  0  0999 V2000
    1.6058   -0.7476   -0.6544 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9403    0.0463   -0.3235 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.6492   -0.9322    0.6402 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9818   -0.9865    2.0028 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1854    0.3517    2.6166 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5551    1.5132    1.8459 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.2675    2.7245    2.6566 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4791    3.8862    2.2611 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.2498    3.9447    0.8072 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.2677    2.9419   -0.0041 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6155    1.5365    0.1957 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.3970    1.9001   -0.8198 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1402    3.3491    1.8537 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.0303    4.0219    2.5174 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1070    1.8383    2.1170 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7869   -1.8142   -0.8061 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1278   -0.4127   -1.5822 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8649   -0.6539    0.1533 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5315    0.1013   -1.2461 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7071   -0.6686    0.7346 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6328   -1.9525    0.2327 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4565   -1.7459    2.6342 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9140   -1.2256    1.9716 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2725    0.5194    2.6752 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8367    0.3485    3.6573 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3334    2.8440    2.4364 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1671    2.5930    3.7425 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5756    4.7880    2.8314 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0434    4.8888    0.3220 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2862    3.0209    0.3882 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3399    3.2733   -1.0490 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6803    1.5658   -1.8323 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2005    2.9590   -1.0146 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4401    1.4443   -0.5475 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0856    5.0949    2.6552 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1678    3.5985    3.5305 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9651    3.8158    1.9853 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3959    1.3135    1.4751 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8276    1.5955    3.1479 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 16  1  0  0  0  0
  1 17  1  0  0  0  0
  1 18  1  0  0  0  0
  2  3  1  0  0  0  0
  2 11  1  0  0  0  0
  2 19  1  0  0  0  0
  3  4  1  0  0  0  0
  3 20  1  0  0  0  0
  3 21  1  0  0  0  0
  4  5  1  0  0  0  0
  4 22  1  0  0  0  0
  4 23  1  0  0  0  0
  5  6  1  0  0  0  0
  5 24  1  0  0  0  0
  5 25  1  0  0  0  0
  6  7  1  0  0  0  0
  6 11  1  0  0  0  0
  6 15  1  0  0  0  0
  7  8  1  0  0  0  0
  7 26  1  0  0  0  0
  7 27  1  0  0  0  0
  8  9  1  0  0  0  0
  8 13  1  0  0  0  0
  8 28  1  0  0  0  0
  9 10  1  0  0  0  0
  9 13  1  0  0  0  0
  9 29  1  0  0  0  0
 10 11  1  0  0  0  0
 10 30  1  0  0  0  0
 10 31  1  0  0  0  0
 11 12  1  0  0  0  0
 12 32  1  0  0  0  0
 12 33  1  0  0  0  0
 12 34  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 14 35  1  0  0  0  0
 14 36  1  0  0  0  0
 14 37  1  0  0  0  0
 15 38  1  0  0  0  0
 15 39  1  0  0  0  0
M  END
$$$$

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2023-08-09, 1728👍, 0💬