Molecule FYI-1015911

A

Molecule Summary:

ID: FYI-1015911
Names:
InChIKey: JTHPKSXTQQOELJ-UHFFFAOYSA-N
SMILES: Cc5cc(C(C)(C)C)cc(C4CC3C1CC(C1)C(c2c(C)c(O)c(C)cc2C(C)(C)C)C3C4)c5O

Received at FYIcenter.com on: 2025-10-31

Molecule ID: FYI-1015911 Edit

Molecule Structure InChIKey: JTHPKSXTQQOELJ-UHFFFAOYSA-N

Molecule Structure SMILES String: Cc5cc(C(C)(C)C)cc(C4CC3C1CC(C1)C(c2c(C)c(O)c(C)cc2C(C)(C)C)C3C4)c5O

Download SDF Download SVG Structure in 2D SDF:

FYI-1015911
FYIcenter.com

 35 39  0  0  0  0  0  0  0  0999 V2000
    4.8497    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    5.6000    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
    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0249    4.2000    0.0000 C   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
    2.4249    9.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1287    7.8306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0655    8.8710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3655   10.0834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9961    9.7923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4655    8.8710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1655   10.0835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4655   11.2959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0655   11.2959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8281   10.1218    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4244    5.4124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8244    2.9876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  3  1  0  0  0  0
  5  4  2  0  0  0  0
  6  5  1  0  0  0  0
  7  6  2  0  0  0  0
  7  2  1  0  0  0  0
  8  6  1  0  0  0  0
  9  8  1  0  0  0  0
 10  8  1  0  0  0  0
 11  8  1  0  0  0  0
 12  4  1  0  0  0  0
 13  3  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
  1 17  1  0  0  0  0
  1 14  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 16 21  1  0  0  0  0
 15 18  1  0  0  0  0
 21 22  1  0  0  0  0
 22 19  1  0  0  0  0
 24 23  1  0  0  0  0
 25 24  2  0  0  0  0
 26 25  1  0  0  0  0
 27 26  2  0  0  0  0
 28 27  1  0  0  0  0
 29 28  2  0  0  0  0
 29 24  1  0  0  0  0
 30 28  1  0  0  0  0
 31 30  1  0  0  0  0
 32 30  1  0  0  0  0
 33 30  1  0  0  0  0
 34 26  1  0  0  0  0
 35 25  1  0  0  0  0
 18 29  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1015911-3D
FYIcenter.com

 81 85  0  0  1  0  0  0  0  0999 V2000
    3.8141   -1.2676    1.6518 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7467   -0.3117    2.1120 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9405   -0.6355    3.1852 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9852    0.2687    3.6736 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1802   -0.1119    4.9388 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6917   -1.4058    5.6341 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3548    1.0311    5.9552 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3112   -0.3423    4.6342 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8599    1.5500    3.0360 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7013    1.9674    1.9795 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4603    3.3294    1.2555 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.9317    4.8670    1.5853 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6904    5.5830    0.2089 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.1910    6.8913   -0.5456 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.2939    7.4038   -1.8984 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7878    6.0999   -2.5426 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.1792    6.6424   -1.8147 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1707    4.7370   -2.0024 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.3959    4.5480   -1.8204 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3398    5.4880   -1.1345 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1560    6.8476   -0.4496 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7154    5.1385   -0.9830 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6150    5.9499   -0.3222 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2349    3.9526   -1.4235 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6564    3.5525   -1.1686 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3741    3.0685   -2.0549 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9709    3.2617   -2.2611 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2765    1.9876   -2.9399 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2492    0.7645   -3.1057 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2428    2.2978   -4.3556 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8624    1.3312   -2.1534 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0257    4.5089   -0.7750 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.2188    3.2731   -0.0269 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5996    0.9446    1.5240 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3536    1.0672    0.3790 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6684   -2.2693    2.0649 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7905   -0.8967    1.9861 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8243   -1.3642    0.5615 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0588   -1.6190    3.6242 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7673   -1.3544    5.8436 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5113   -2.2963    5.0160 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1846   -1.5764    6.5883 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4203    1.1917    6.1647 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1445    0.8041    6.9007 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0551    1.9762    5.5868 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4569   -1.2312    4.0079 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7729    0.5046    4.1190 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8701   -0.5122    5.5639 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0624    2.2232    3.3557 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3831    3.3576    1.0209 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9685    4.9114    1.9272 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2840    5.2775    2.3717 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6252    5.6771    0.3118 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4455    7.7170    0.1239 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6692    8.3233   -2.3807 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2279    7.5135   -2.0325 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8259    6.0983   -3.6382 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5987    7.5550   -2.2721 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0513    5.9937   -1.7066 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5053    3.9925   -2.7179 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1833    7.2415   -0.2107 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6067    6.8284    0.5521 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6596    7.6256   -1.0422 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4926    6.8647   -0.6188 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2963    4.3984   -0.8979 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6901    2.8290   -0.3480 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0919    3.0989   -2.0649 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8740    2.1605   -2.3693 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0512    0.9755   -3.8193 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6820    0.4692   -2.1383 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7344   -0.1257   -3.4850 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5638    2.6508   -5.0036 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6781    1.3943   -4.8065 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0319    3.0497   -4.3706 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5975    1.2349   -1.0946 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8049    1.8524   -2.3281 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0850    0.3102   -2.4914 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0555    4.5861   -1.1245 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2943    3.2509    0.2462 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0341    2.4203   -0.6271 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2500    1.2330    0.6722 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 36  1  0  0  0  0
  1 37  1  0  0  0  0
  1 38  1  0  0  0  0
  2  3  1  0  0  0  0
  2 34  2  0  0  0  0
  3  4  2  0  0  0  0
  3 39  1  0  0  0  0
  4  5  1  0  0  0  0
  4  9  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5  8  1  0  0  0  0
  6 40  1  0  0  0  0
  6 41  1  0  0  0  0
  6 42  1  0  0  0  0
  7 43  1  0  0  0  0
  7 44  1  0  0  0  0
  7 45  1  0  0  0  0
  8 46  1  0  0  0  0
  8 47  1  0  0  0  0
  8 48  1  0  0  0  0
  9 10  2  0  0  0  0
  9 49  1  0  0  0  0
 10 11  1  0  0  0  0
 10 34  1  0  0  0  0
 11 12  1  0  0  0  0
 11 33  1  0  0  0  0
 11 50  1  0  0  0  0
 12 13  1  0  0  0  0
 12 51  1  0  0  0  0
 12 52  1  0  0  0  0
 13 14  1  0  0  0  0
 13 32  1  0  0  0  0
 13 53  1  0  0  0  0
 14 15  1  0  0  0  0
 14 17  1  0  0  0  0
 14 54  1  0  0  0  0
 15 16  1  0  0  0  0
 15 55  1  0  0  0  0
 15 56  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
 16 57  1  0  0  0  0
 17 58  1  0  0  0  0
 17 59  1  0  0  0  0
 18 19  1  0  0  0  0
 18 32  1  0  0  0  0
 18 60  1  0  0  0  0
 19 20  1  0  0  0  0
 19 27  2  0  0  0  0
 20 21  1  0  0  0  0
 20 22  2  0  0  0  0
 21 61  1  0  0  0  0
 21 62  1  0  0  0  0
 21 63  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  1  0  0  0  0
 23 64  1  0  0  0  0
 24 25  1  0  0  0  0
 24 26  2  0  0  0  0
 25 65  1  0  0  0  0
 25 66  1  0  0  0  0
 25 67  1  0  0  0  0
 26 27  1  0  0  0  0
 26 68  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 28 30  1  0  0  0  0
 28 31  1  0  0  0  0
 29 69  1  0  0  0  0
 29 70  1  0  0  0  0
 29 71  1  0  0  0  0
 30 72  1  0  0  0  0
 30 73  1  0  0  0  0
 30 74  1  0  0  0  0
 31 75  1  0  0  0  0
 31 76  1  0  0  0  0
 31 77  1  0  0  0  0
 32 33  1  0  0  0  0
 32 78  1  0  0  0  0
 33 79  1  0  0  0  0
 33 80  1  0  0  0  0
 34 35  1  0  0  0  0
 35 81  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2025-11-06, 740👍, 0💬