Molecule Editor

Molecule ID: FYI-1014895 Edit

Molecule Structure InChIKey: HCXVJBMSMIARIN-PHZDYDNGSA-N

Molecule Structure SMILES String: CC[C@H](/C=C/[C@@H](C)[C@H]3CC[C@H]4[C@@H]2CC=C1C[C@@H](O)CC[C@]1(C)[C@H]2CC[C@]34C)C(C)C

Download SDF Download SVG Structure in 2D SDF:

FYI-1014895
FYIcenter.com

 30 33  0  0  1  0  0  0  0  0999 V2000
   11.0251    9.3813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8126   10.0813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6002    9.3813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3878   10.0813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1754    9.3813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9629   10.0813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9629   11.4813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7505    9.3813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4716    9.9506    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5347    8.9103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2347    7.6979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6042    7.9890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5409    6.9485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1083    5.6171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7388    5.3260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8021    6.3664    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4327    6.0753    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.7438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9369    3.7034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3062    3.9945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2431    2.9541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8104    1.6226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4410    1.3315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5043    2.3719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0084    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6757    4.2855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9356    8.4216    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6002    7.9813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3878    7.2813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8126    7.2813    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  1  0  0  0
  4  3  1  0  0  0  0
  5  4  2  0  0  0  0
  6  5  1  0  0  0  0
  6  7  1  6  0  0  0
  8  6  1  0  0  0  0
  8  9  1  6  0  0  0
 10  9  1  0  0  0  0
 11 10  1  6  0  0  0
 12 11  1  0  0  0  0
 12  8  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  1  6  0  0  0
 16 15  1  0  0  0  0
 16 11  1  0  0  0  0
 16 17  1  1  0  0  0
 18 17  1  0  0  0  0
 19 18  2  0  0  0  0
 20 19  1  0  0  0  0
 20 15  1  0  0  0  0
 21 20  1  0  0  0  0
 22 21  1  0  0  0  0
 23 22  1  0  0  0  0
 24 23  1  0  0  0  0
 24 19  1  0  0  0  0
 23 25  1  6  0  0  0
 20 26  1  6  0  0  0
 12 27  1  6  0  0  0
 28  3  1  0  0  0  0
 29 28  1  0  0  0  0
 30 28  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1014895-3D
FYIcenter.com

 78 81  0     1  0  0  0  0  0999 V2000
    8.4148   -0.1504    0.4018 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2767    0.5414   -0.2403 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.4461   -0.7299    0.2476 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.8956   -0.8270   -0.2388 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.6888    0.4243    0.2388 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.6769    0.2787    0.3661 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.4640    1.7488    0.3513 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1851    0.3905   -0.2718 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.5234   -1.8550   -0.1014 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9466    1.7562   -0.0596 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9149   -1.2262    0.0989 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5613   -2.1074    0.2872 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3513    0.6718   -1.7820 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7932   -1.0072   -0.0881 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8130    1.1566   -0.1383 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.0083    1.4181    0.5612 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0520   -2.0978    0.1734 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2760    0.7575   -1.7726 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2952   -1.1270   -0.2049 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5212    1.3121    0.3749 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0161   -0.1004    0.6646 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.5262    2.6326    0.1468 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1168    0.7503    0.5049 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1831    0.3108   -0.1815 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4932   -0.0911    0.4649 C   0  0  2  0  0  0  0  0  0  0  0  0
   -6.8477   -1.5890    0.2288 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5883    0.8917   -0.0059 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8231   -2.5747    0.7998 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0747   -1.8885   -1.2597 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3551    2.3304    0.4338 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4886   -0.6981    1.3497 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9085   -0.8733   -1.3335 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7252    0.3534    1.3383 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6054    0.4005    1.4590 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4026    1.7337    1.4470 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0440    2.7016    0.0273 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3854   -2.7295    0.5426 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3989   -2.1845   -1.1390 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0058    1.9984   -1.1247 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4400    2.5794    0.4694 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5247   -1.4011   -0.7949 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4303   -1.6918    0.9464 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1716   -2.9679   -0.2700 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3057   -2.2711    1.3416 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6337    0.6359   -2.2550 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9464   -0.1247   -2.2401 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8005    1.6246   -2.0801 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9224    1.0446   -1.2243 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7913    1.2822    1.6296 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7041    2.4419    0.3129 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5424   -3.0580    0.3146 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2904    0.6416   -2.1691 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6243    0.1266   -2.3857 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9988    1.8014   -1.9514 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6449   -2.1298    0.0727 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5917   -1.0072   -1.2546 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8052    1.6164   -0.6401 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0273    2.0212    1.0417 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8704   -0.3369    1.7251 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8619    3.0656   -0.6040 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4498    3.2227    0.0899 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1089    2.7903    1.1469 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1756    0.8230    1.5887 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1220    0.2519   -1.2653 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5522    0.0499   -0.5398 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4010    0.0324    1.5538 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7971   -1.7812    0.7470 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6816    0.8800   -1.0984 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5544    0.5631    0.3969 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6413   -2.3719    1.8602 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8666   -2.5152    0.2713 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1878   -3.6040    0.7139 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1683   -1.7403   -1.8546 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8735   -1.2728   -1.6823 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3795   -2.9333   -1.3903 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2343    2.3946    1.5199 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4686    2.7622   -0.0401 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2128    2.9506    0.1534 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 21  1  0  0  0  0
  1 65  1  0  0  0  0
  2  3  1  0  0  0  0
  2  6  1  0  0  0  0
  2  7  1  0  0  0  0
  2 13  1  0  0  0  0
  3  4  1  0  0  0  0
  3  9  1  0  0  0  0
  3 31  1  0  0  0  0
  4  5  1  0  0  0  0
  4 12  1  0  0  0  0
  4 32  1  0  0  0  0
  5  8  1  0  0  0  0
  5 10  1  0  0  0  0
  5 33  1  0  0  0  0
  6 11  1  0  0  0  0
  6 15  1  0  0  0  0
  6 34  1  0  0  0  0
  7 10  1  0  0  0  0
  7 35  1  0  0  0  0
  7 36  1  0  0  0  0
  8 14  1  0  0  0  0
  8 16  1  0  0  0  0
  8 18  1  0  0  0  0
  9 11  1  0  0  0  0
  9 37  1  0  0  0  0
  9 38  1  0  0  0  0
 10 39  1  0  0  0  0
 10 40  1  0  0  0  0
 11 41  1  0  0  0  0
 11 42  1  0  0  0  0
 12 17  1  0  0  0  0
 12 43  1  0  0  0  0
 12 44  1  0  0  0  0
 13 45  1  0  0  0  0
 13 46  1  0  0  0  0
 13 47  1  0  0  0  0
 14 17  2  0  0  0  0
 14 19  1  0  0  0  0
 15 22  1  0  0  0  0
 15 23  1  0  0  0  0
 15 48  1  0  0  0  0
 16 20  1  0  0  0  0
 16 49  1  0  0  0  0
 16 50  1  0  0  0  0
 17 51  1  0  0  0  0
 18 52  1  0  0  0  0
 18 53  1  0  0  0  0
 18 54  1  0  0  0  0
 19 21  1  0  0  0  0
 19 55  1  0  0  0  0
 19 56  1  0  0  0  0
 20 21  1  0  0  0  0
 20 57  1  0  0  0  0
 20 58  1  0  0  0  0
 21 59  1  0  0  0  0
 22 60  1  0  0  0  0
 22 61  1  0  0  0  0
 22 62  1  0  0  0  0
 23 24  2  0  0  0  0
 23 63  1  0  0  0  0
 24 25  1  0  0  0  0
 24 64  1  0  0  0  0
 25 26  1  0  0  0  0
 25 27  1  0  0  0  0
 25 66  1  0  0  0  0
 26 28  1  0  0  0  0
 26 29  1  0  0  0  0
 26 67  1  0  0  0  0
 27 30  1  0  0  0  0
 27 68  1  0  0  0  0
 27 69  1  0  0  0  0
 28 70  1  0  0  0  0
 28 71  1  0  0  0  0
 28 72  1  0  0  0  0
 29 73  1  0  0  0  0
 29 74  1  0  0  0  0
 29 75  1  0  0  0  0
 30 76  1  0  0  0  0
 30 77  1  0  0  0  0
 30 78  1  0  0  0  0
M  END
$$$$