Molecule FYI-1002609

A

Molecule Summary:

ID: FYI-1002609
Names:
InChIKey: UDXDFWBZZQHDRO-UHFFFAOYSA-N
SMILES: CC(=O)OC5CCC4(C)C3CC=C2C1C(C)C(C)CCC1(C)CCC2(C)C3(C)CCC4C5(C)C

Received at FYIcenter.com on: 2023-04-12

Molecule ID: FYI-1002609 Edit

Molecule Structure InChIKey: UDXDFWBZZQHDRO-UHFFFAOYSA-N

Molecule Structure SMILES String: CC(=O)OC5CCC4(C)C3CC=C2C1C(C)C(C)CCC1(C)CCC2(C)C3(C)CCC4C5(C)C

Download SDF Download SVG Structure in 2D SDF:

FYI-1002609
FYIcenter.com

 34 38  0  0  0  0  0  0  0  0999 V2000
   13.3570    6.3096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1427    7.0106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1427    8.4127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9285    9.1138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7142    8.4127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4999    9.1138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2856    8.4127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2856    7.0106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4999    6.3096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4999    4.9074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2856    4.2064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0714    4.9074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0714    6.3096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8571    7.0106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6428    6.3096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6428    4.9074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8571    4.2064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8571    2.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6428    2.1032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4285    2.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4285    4.2064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7275    5.4206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0265    4.2064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2143    2.1032    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2143    0.7010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4285    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0714    3.5052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7209    7.7116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7142    7.0106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9285    6.3096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9285    4.9074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2465    7.7554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7142    9.8148    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
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  2  0  0  0  0
 11 10  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  1  0  0  0  0
 13  8  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  1  0  0  0  0
 16 15  1  0  0  0  0
 17 16  1  0  0  0  0
 17 12  1  0  0  0  0
 18 17  1  0  0  0  0
 19 18  1  0  0  0  0
 20 19  1  0  0  0  0
 21 20  1  0  0  0  0
 21 16  1  0  0  0  0
 22 21  1  0  0  0  0
 23 21  1  0  0  0  0
 24 20  1  0  0  0  0
 25 24  1  0  0  0  0
 26 25  2  0  0  0  0
 27 25  1  0  0  0  0
 28 17  1  0  0  0  0
 29 13  1  0  0  0  0
 30  9  1  0  0  0  0
 30  5  1  0  0  0  0
 31 30  1  0  0  0  0
 31  2  1  0  0  0  0
 32 31  1  0  0  0  0
 33  8  1  0  0  0  0
 34  5  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1002609-3D
FYIcenter.com

 86 90  0  0  1  0  0  0  0  0999 V2000
   17.0295   -7.5345    2.9141 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6364   -7.1167    2.5372 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7182   -7.9034    2.3639 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.5888   -5.7621    2.3761 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.3814   -5.3160    1.7509 C   0  0  3  0  0  0  0  0  0  0  0  0
   13.2486   -5.0394    2.7755 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9102   -4.5231    2.1365 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2033   -3.3026    1.1792 C   0  0  3  0  0  0  0  0  0  0  0  0
   12.6324   -2.2257    2.2244 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9538   -2.6900    0.3765 C   0  0  3  0  0  0  0  0  0  0  0  0
   10.0369   -1.7859    1.3330 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9496   -0.9744    0.6830 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4469   -0.1820   -0.2853 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2482    1.3329    0.1073 C   0  0  3  0  0  0  0  0  0  0  0  0
    9.5842    2.7139   -0.3023 C   0  0  3  0  0  0  0  0  0  0  0  0
   10.0556    3.8000    0.6984 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9184    3.1996   -1.7534 C   0  0  3  0  0  0  0  0  0  0  0  0
    9.2047    4.4742   -2.1982 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4078    3.4256   -1.9994 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3383    2.4055   -1.4076 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7906    1.4580   -0.3075 C   0  0  3  0  0  0  0  0  0  0  0  0
   12.7075    1.5738    0.9484 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9868    0.1613   -0.9686 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7932    0.0258   -2.0544 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9749   -1.1184   -1.5155 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.8002   -1.6664   -2.3269 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0875   -2.2760   -1.3106 C   0  0  3  0  0  0  0  0  0  0  0  0
   12.0644   -1.9257   -2.7474 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4640   -3.7233   -1.6781 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0184   -3.6857   -1.2622 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1907   -3.9955    0.1840 C   0  0  3  0  0  0  0  0  0  0  0  0
   14.6363   -4.1880    0.6928 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3692   -2.8970    1.1324 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5908   -4.7437   -0.4007 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0840   -8.6229    2.8619 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.2625   -7.1933    3.9327 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.7381   -7.1199    2.1951 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.0098   -6.1572    1.1492 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.6169   -4.3481    3.5394 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.0331   -5.9600    3.3294 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1911   -4.2733    2.9258 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.4465   -5.3458    1.5752 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.8612   -2.1222    3.0052 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.7886   -1.2421    1.7815 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.4977   -2.4731    2.8353 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2598   -3.5445    0.3176 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6141   -1.0522    1.8971 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5696   -2.4428    2.0837 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1694   -1.6936    0.3996 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1883    1.2999    1.2080 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4987    2.6078   -0.2035 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1115    4.0616    0.5638 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9420    3.4703    1.7351 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4815    4.7219    0.5760 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5368    2.4725   -2.4703 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6065    5.3630   -1.7055 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1321    4.4028   -2.0163 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3549    4.6061   -3.2790 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7317    4.4045   -1.6374 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5960    3.4454   -3.0845 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.2626    2.8872   -1.0641 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.7082    1.8293   -2.2646 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.8787    2.6233    1.2111 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.6917    1.1263    0.7579 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.2955    1.0818    1.8348 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.9775   -0.5860   -0.1753 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.0039    0.0638   -1.3586 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1046    0.0187   -3.1006 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1282    0.8628   -2.1352 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8666   -1.1153   -2.1572 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5920   -2.7034   -2.0261 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0029   -1.6757   -3.4002 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.6801   -1.0312   -2.7722 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.3590   -1.8951   -3.5979 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.7906   -2.6481   -3.1458 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.3371   -3.9864   -2.7393 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9354   -4.5361   -1.1737 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.5268   -2.7127   -1.3506 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.5548   -4.3783   -1.9149 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.7986   -5.0171    0.0806 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.7681   -2.0911    1.5255 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.8420   -2.3971    0.2739 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.1549   -3.1016    1.8650 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.2100   -5.6598   -0.8564 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.5820   -4.9500    0.0183 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.7425   -4.0092   -1.2054 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 35  1  0  0  0  0
  1 36  1  0  0  0  0
  1 37  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5 32  1  0  0  0  0
  5 38  1  0  0  0  0
  6  7  1  0  0  0  0
  6 39  1  0  0  0  0
  6 40  1  0  0  0  0
  7  8  1  0  0  0  0
  7 41  1  0  0  0  0
  7 42  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 31  1  0  0  0  0
  9 43  1  0  0  0  0
  9 44  1  0  0  0  0
  9 45  1  0  0  0  0
 10 11  1  0  0  0  0
 10 27  1  0  0  0  0
 10 46  1  0  0  0  0
 11 12  1  0  0  0  0
 11 47  1  0  0  0  0
 11 48  1  0  0  0  0
 12 13  2  3  0  0  0
 12 49  1  0  0  0  0
 13 14  1  0  0  0  0
 13 25  1  0  0  0  0
 14 15  1  0  0  0  0
 14 21  1  0  0  0  0
 14 50  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 15 51  1  0  0  0  0
 16 52  1  0  0  0  0
 16 53  1  0  0  0  0
 16 54  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
 17 55  1  0  0  0  0
 18 56  1  0  0  0  0
 18 57  1  0  0  0  0
 18 58  1  0  0  0  0
 19 20  1  0  0  0  0
 19 59  1  0  0  0  0
 19 60  1  0  0  0  0
 20 21  1  0  0  0  0
 20 61  1  0  0  0  0
 20 62  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  1  0  0  0  0
 22 63  1  0  0  0  0
 22 64  1  0  0  0  0
 22 65  1  0  0  0  0
 23 24  1  0  0  0  0
 23 66  1  0  0  0  0
 23 67  1  0  0  0  0
 24 25  1  0  0  0  0
 24 68  1  0  0  0  0
 24 69  1  0  0  0  0
 25 26  1  0  0  0  0
 25 27  1  0  0  0  0
 26 70  1  0  0  0  0
 26 71  1  0  0  0  0
 26 72  1  0  0  0  0
 27 28  1  0  0  0  0
 27 29  1  0  0  0  0
 28 73  1  0  0  0  0
 28 74  1  0  0  0  0
 28 75  1  0  0  0  0
 29 30  1  0  0  0  0
 29 76  1  0  0  0  0
 29 77  1  0  0  0  0
 30 31  1  0  0  0  0
 30 78  1  0  0  0  0
 30 79  1  0  0  0  0
 31 32  1  0  0  0  0
 31 80  1  0  0  0  0
 32 33  1  0  0  0  0
 32 34  1  0  0  0  0
 33 81  1  0  0  0  0
 33 82  1  0  0  0  0
 33 83  1  0  0  0  0
 34 84  1  0  0  0  0
 34 85  1  0  0  0  0
 34 86  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-04-17, 699👍, 0💬