Molecule FYI-1002207

A

Molecule Summary:

ID: FYI-1002207
Names:
InChIKey: HVYWMOMLDIMFJA-DPAQBDIFSA-N
SMILES: CC(C)CCC[C@@H](C)C3CCC4C2CC=C1C[C@@H](O)CC[C@]1(C)C2CC[C@]34C

Received at FYIcenter.com on: 2023-02-05

Molecule ID: FYI-1002207 Edit

Molecule Structure InChIKey: HVYWMOMLDIMFJA-DPAQBDIFSA-N

Molecule Structure SMILES String: CC(C)CCC[C@@H](C)C3CCC4C2CC=C1C[C@@H](O)CC[C@]1(C)C2CC[C@]34C

Download SDF Download SVG Structure in 2D SDF:

FYI-1002207
FYIcenter.com

 74 77  0  0  1  0  0  0  0  0999 V2000
    0.9459    1.1246    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4689    6.5145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4689    4.7487    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9398    3.8658    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4106    4.7487    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1397    7.0525    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9398    7.3974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8037    3.8536    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1397    4.2105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4106    6.5145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1702    5.6316    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9682    2.0268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6883    8.7309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4689    8.2802    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7894    2.0144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1671    4.8497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3824    1.0948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8173    5.6194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1377    1.0437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4933    3.9175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4161    9.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4786    2.0017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5091   10.0451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9648   10.7735    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6926   11.1376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.2410   12.8160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.9688   13.1801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0618   14.1303    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6278    3.2561    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2454    3.1254    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7104    5.4992    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.6226    7.2854    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6434    8.2359    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2361    8.2359    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.6965    3.2095    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.0886    3.6645    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0361    7.5432    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3324    6.3243    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.9841    4.8991    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.9841    6.3639    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3531    1.0019    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0437    2.2307    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.0284    9.7714    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5637    8.2802    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4689    9.3750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3741    8.2802    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8878    5.6738    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4786    5.7008    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3866    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9121    5.6109    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8258    6.7142    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7226    5.6279    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4362    0.2032    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8458    0.2087    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1322    4.9509    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4133    3.7385    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.4525    8.0009    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.5000    8.9408    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4765    0.9069    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.3239   10.7763    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7779   10.8600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6942    9.3141    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.9284   11.8676    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.8809   10.9277    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.6757    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.7288   10.0434    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.7764   10.9833    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.9722   12.0011    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.1947   12.1088    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   20.0401   13.4059    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.7432   14.2514    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.8767   14.8615    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.3306   14.9452    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.2469   13.3991    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
 22  1  1  1  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 14  1  1  0  0  0
  3  4  1  0  0  0  0
  3  9  1  0  0  0  0
  3 29  1  6  0  0  0
  4  5  1  0  0  0  0
  4 12  1  0  0  0  0
  4 30  1  1  0  0  0
  5  8  1  0  0  0  0
  5 10  1  0  0  0  0
  5 31  1  6  0  0  0
  6 11  1  0  0  0  0
  6 13  1  0  0  0  0
  6 32  1  6  0  0  0
  7 10  1  0  0  0  0
  7 33  1  0  0  0  0
  7 34  1  0  0  0  0
  8 15  1  0  0  0  0
  8 16  1  0  0  0  0
  8 18  1  1  0  0  0
  9 11  1  0  0  0  0
  9 35  1  0  0  0  0
  9 36  1  0  0  0  0
 10 37  1  0  0  0  0
 10 38  1  0  0  0  0
 11 39  1  0  0  0  0
 11 40  1  0  0  0  0
 12 17  1  0  0  0  0
 12 41  1  0  0  0  0
 12 42  1  0  0  0  0
 13 21  1  0  0  0  0
 13 23  1  6  0  0  0
 13 43  1  0  0  0  0
 14 44  1  0  0  0  0
 14 45  1  0  0  0  0
 14 46  1  0  0  0  0
 15 17  2  0  0  0  0
 15 19  1  0  0  0  0
 16 20  1  0  0  0  0
 16 47  1  0  0  0  0
 16 48  1  0  0  0  0
 17 49  1  0  0  0  0
 18 50  1  0  0  0  0
 18 51  1  0  0  0  0
 18 52  1  0  0  0  0
 19 22  1  0  0  0  0
 19 53  1  0  0  0  0
 19 54  1  0  0  0  0
 20 22  1  0  0  0  0
 20 55  1  0  0  0  0
 20 56  1  0  0  0  0
 21 24  1  0  0  0  0
 21 57  1  0  0  0  0
 21 58  1  0  0  0  0
 22 59  1  0  0  0  0
 23 60  1  0  0  0  0
 23 61  1  0  0  0  0
 23 62  1  0  0  0  0
 24 25  1  0  0  0  0
 24 63  1  0  0  0  0
 24 64  1  0  0  0  0
 25 26  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 28  1  0  0  0  0
 26 68  1  0  0  0  0
 27 69  1  0  0  0  0
 27 70  1  0  0  0  0
 27 71  1  0  0  0  0
 28 72  1  0  0  0  0
 28 73  1  0  0  0  0
 28 74  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1002207-3D
FYIcenter.com

 74 77  0     1  0  0  0  0  0999 V2000
    7.4996    1.5828   -0.3199 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8177   -1.1082   -0.2032 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.1192   -0.4371    0.9962 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.4069   -0.5652    0.9577 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.9478    0.0601   -0.3611 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.2919   -0.8444    0.1890 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.3507   -0.3835   -1.4733 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5192   -0.0819   -0.4669 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.8724   -0.9821    2.2059 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1802   -0.4327   -1.6188 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3228   -1.1293    1.7092 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0419    0.1295    2.1715 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3507   -1.6209   -0.5805 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.5360   -2.6262   -0.3284 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1902    0.2693    0.8685 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0250    0.9005   -1.5654 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5099    0.3709    2.0236 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9298   -1.5261   -0.8427 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6816    0.5131    0.8483 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5422    1.0788   -1.6005 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7871   -1.2758   -0.1342 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0799    1.5067   -0.2396 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.2110   -1.3511   -2.0841 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1857    0.2026   -0.2341 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5950    0.4923    0.2927 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0210    1.9641    0.1265 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9608    2.4322   -1.3284 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1320    2.8612    0.9919 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3420    0.6430    0.9624 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6832   -1.6247    1.0013 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7287    1.1384   -0.2924 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4681    0.2316    0.0536 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6679    0.6670   -1.4515 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7587   -0.8152   -2.3872 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8128   -0.3057    3.0646 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4762   -1.9538    2.5211 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4682   -1.4584   -1.8669 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4577    0.1809   -2.4834 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6868   -2.1380    1.9354 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9829   -0.4196    2.2204 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8749   -0.4861    3.0637 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5596    1.0968    2.3598 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2280   -2.6991   -0.4184 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9839   -3.0472   -1.2333 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5324   -2.8514   -0.3834 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9299   -3.1942    0.5205 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5741    1.8900   -1.4087 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6971    0.5660   -2.5568 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0374    0.6439    2.9344 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6098   -1.7868   -1.8567 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0153   -1.6694   -0.8217 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5014   -2.2625   -0.1550 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0427    0.8850    1.8160 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2092   -0.4372    0.6979 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0327    0.1540   -1.9285 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8095    1.8311   -2.3531 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4968   -1.8725   -0.7224 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9223   -1.6028    0.9045 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7045    2.5078    0.0055 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0371   -0.2938   -2.3068 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1284   -1.6408   -2.6111 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4266   -1.9624   -2.5342 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4754    0.8060    0.3359 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1073    0.5076   -1.2817 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8276    1.8603    0.5525 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6571    0.2080    1.3505 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3119   -0.1425   -0.2432 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0556    2.0552    0.4799 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5096    1.7460   -1.9817 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4214    3.4218   -1.4250 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9346    2.5173   -1.6989 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1070    2.5091    2.0285 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5260    3.8837    1.0014 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1039    2.9156    0.6205 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 22  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 14  1  0  0  0  0
  3  4  1  0  0  0  0
  3  9  1  0  0  0  0
  3 29  1  0  0  0  0
  4  5  1  0  0  0  0
  4 12  1  0  0  0  0
  4 30  1  0  0  0  0
  5  8  1  0  0  0  0
  5 10  1  0  0  0  0
  5 31  1  0  0  0  0
  6 11  1  0  0  0  0
  6 13  1  0  0  0  0
  6 32  1  0  0  0  0
  7 10  1  0  0  0  0
  7 33  1  0  0  0  0
  7 34  1  0  0  0  0
  8 15  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 35  1  0  0  0  0
  9 36  1  0  0  0  0
 10 37  1  0  0  0  0
 10 38  1  0  0  0  0
 11 39  1  0  0  0  0
 11 40  1  0  0  0  0
 12 17  1  0  0  0  0
 12 41  1  0  0  0  0
 12 42  1  0  0  0  0
 13 21  1  0  0  0  0
 13 23  1  0  0  0  0
 13 43  1  0  0  0  0
 14 44  1  0  0  0  0
 14 45  1  0  0  0  0
 14 46  1  0  0  0  0
 15 17  2  0  0  0  0
 15 19  1  0  0  0  0
 16 20  1  0  0  0  0
 16 47  1  0  0  0  0
 16 48  1  0  0  0  0
 17 49  1  0  0  0  0
 18 50  1  0  0  0  0
 18 51  1  0  0  0  0
 18 52  1  0  0  0  0
 19 22  1  0  0  0  0
 19 53  1  0  0  0  0
 19 54  1  0  0  0  0
 20 22  1  0  0  0  0
 20 55  1  0  0  0  0
 20 56  1  0  0  0  0
 21 24  1  0  0  0  0
 21 57  1  0  0  0  0
 21 58  1  0  0  0  0
 22 59  1  0  0  0  0
 23 60  1  0  0  0  0
 23 61  1  0  0  0  0
 23 62  1  0  0  0  0
 24 25  1  0  0  0  0
 24 63  1  0  0  0  0
 24 64  1  0  0  0  0
 25 26  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 28  1  0  0  0  0
 26 68  1  0  0  0  0
 27 69  1  0  0  0  0
 27 70  1  0  0  0  0
 27 71  1  0  0  0  0
 28 72  1  0  0  0  0
 28 73  1  0  0  0  0
 28 74  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-02-28, 918👍, 0💬