Molecule FYI-1010170

A

Molecule Summary:

ID: FYI-1010170
Names:
InChIKey: FKRPVJRJQZWHMU-UHFFFAOYSA-N
SMILES: C=CC1(C)CCC2=C(C1O)C(O)C3(O)OCC24CCCC(C)(C)C34O

Received at FYIcenter.com on: 2024-05-31

Molecule ID: FYI-1010170 Edit

Molecule Structure InChIKey: FKRPVJRJQZWHMU-UHFFFAOYSA-N

Molecule Structure SMILES String: C=CC1(C)CCC2=C(C1O)C(O)C3(O)OCC24CCCC(C)(C)C34O

Download SDF Download SVG Structure in 2D SDF:

FYI-1010170
FYIcenter.com

 25 28  0  0  0  0  0  0  0  0999 V2000
    4.1531    3.8390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2668    2.6323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4983    1.9220    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3286    0.5300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1048    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0066    0.7980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1484    2.1480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9083    2.7001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4852    3.6952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7567    3.0050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6414    1.6459    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8854    0.9717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9985    1.6558    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9985    3.0133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8229    3.6921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8229    5.0496    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1741    2.3345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1741    3.6921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3499    3.0133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4432    5.0493    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.6913    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6788    0.5157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0322    3.7372    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0010    3.5479    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9441    4.0043    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  2  0  0  0  0
 11  6  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  1  0  0  0  0
 15 10  1  0  0  0  0
 16 15  1  0  0  0  0
 17 14  1  0  0  0  0
 18 14  1  0  0  0  0
 19 18  2  0  0  0  0
 20  9  1  0  0  0  0
 21  8  1  0  0  0  0
 22 21  1  0  0  0  0
 22  6  1  0  0  0  0
 23  8  1  0  0  0  0
 24  7  1  0  0  0  0
 25  2  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1010170-3D
FYIcenter.com

 55 58  0  0  1  0  0  0  0  0999 V2000
    0.6879    0.3831    0.3540 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0121    0.2411    0.1533 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8051   -1.0334   -0.1082 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.8475   -1.1121    1.0367 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5171   -0.8194   -1.4598 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4713   -1.9586   -1.8027 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0575   -3.3522   -1.3675 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9279   -3.5511   -0.6437 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0399   -2.4031   -0.1782 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.9433   -2.3810   -1.1048 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4679   -4.9646   -0.3532 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.0631   -5.1225   -0.6133 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2275   -6.0213   -1.2185 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.8039   -7.3432   -0.9102 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8728   -5.7618   -2.6245 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9467   -4.9497   -3.1931 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8427   -4.5497   -1.9892 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.2871   -4.2060   -2.3661 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3145   -4.3196   -1.2441 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9650   -5.1184    0.0028 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7529   -6.1032   -0.0190 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4115   -7.5272   -0.0426 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0568   -5.9590    1.3422 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7816   -5.9063   -1.2449 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.2104   -6.9575   -2.1937 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2617    1.3693    0.5233 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0019   -0.4515    0.3152 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5948    1.1553    0.2061 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5306   -0.2552    1.0140 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4658   -2.0146    0.9905 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3498   -1.1211    2.0129 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0859    0.1205   -1.4658 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7808   -0.7068   -2.2687 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4376   -1.7318   -1.3409 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6079   -1.9411   -2.8916 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6174   -2.6320    0.8074 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2435   -1.9617   -1.9270 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5815   -5.1782    0.7114 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8408   -4.4995   -1.3346 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8308   -7.2458   -0.8032 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5001   -4.1079   -3.7315 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4679   -5.5664   -3.9348 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6137   -4.8444   -3.1926 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3747   -3.1925   -2.7704 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5971   -3.3107   -0.9098 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2387   -4.7254   -1.6775 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8478   -4.4019    0.8273 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8802   -5.6622    0.2919 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9469   -7.7464    0.8890 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1586   -7.5964   -0.8474 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6780   -8.3257   -0.1922 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7492   -6.1922    2.1620 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2062   -6.6380    1.4401 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7200   -4.9301    1.5030 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5010   -7.6401   -2.1413 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1 26  1  0  0  0  0
  1 27  1  0  0  0  0
  2  3  1  0  0  0  0
  2 28  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3  9  1  0  0  0  0
  4 29  1  0  0  0  0
  4 30  1  0  0  0  0
  4 31  1  0  0  0  0
  5  6  1  0  0  0  0
  5 32  1  0  0  0  0
  5 33  1  0  0  0  0
  6  7  1  0  0  0  0
  6 34  1  0  0  0  0
  6 35  1  0  0  0  0
  7  8  2  0  0  0  0
  7 17  1  0  0  0  0
  8  9  1  0  0  0  0
  8 11  1  0  0  0  0
  9 10  1  0  0  0  0
  9 36  1  0  0  0  0
 10 37  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 11 38  1  0  0  0  0
 12 39  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 13 24  1  0  0  0  0
 14 40  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 41  1  0  0  0  0
 16 42  1  0  0  0  0
 17 18  1  0  0  0  0
 17 24  1  0  0  0  0
 18 19  1  0  0  0  0
 18 43  1  0  0  0  0
 18 44  1  0  0  0  0
 19 20  1  0  0  0  0
 19 45  1  0  0  0  0
 19 46  1  0  0  0  0
 20 21  1  0  0  0  0
 20 47  1  0  0  0  0
 20 48  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  1  0  0  0  0
 21 24  1  0  0  0  0
 22 49  1  0  0  0  0
 22 50  1  0  0  0  0
 22 51  1  0  0  0  0
 23 52  1  0  0  0  0
 23 53  1  0  0  0  0
 23 54  1  0  0  0  0
 24 25  1  0  0  0  0
 25 55  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2024-06-03, 1045👍, 0💬