Molecule FYI-1001976

A
Molecule Summary:
ID: FYI-1001976
SMILES: CC1=C2[C@@]([C@]([C@H]([C@@H]3[C@]4([C@H](OC4)C[C@@H]([C@]3(C(=O)[C@@H]2OC(=O)C)C)O)OC(=O)C)OC(=O)c5ccccc5)(C[C@@H]1OC(=O)[C@H](O)[C@@H](NC(=O)c6ccccc6)c7ccccc7)O)(C)C
Received at FYIcenter.com on: 2023-01-09
Molecule ID: FYI-1001976 Edit
Molecule Structure SMILES String: CC1=C2[C@@]([C@]([C@H]([C@@H]3[C@]4([C@H](OC4)C[C@@H]([C@]3(C(=O)[C@@H]2OC(=O)C)C)O)OC(=O)C)OC(=O)c5ccccc5)(C[C@@H]1OC(=O)[C@H](O)[C@@H](NC(=O)c6ccccc6)c7ccccc7)O)(C)C
Download SDF Download SVG Structure in 2D SDF:
Image not available
FYI-1001976
FYIcenter.com

113119  0  0  1  0  0  0  0  0999 V2000
    5.6897    1.0202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9172    0.0464    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1755   -0.6267    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0994   -1.0094    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.4821   -1.9333    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0994   -2.8571    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0859   -3.4770    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1755   -3.2398    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.9608   -3.5651    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3274   -4.2703    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.5059   -4.9108    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.9897   -5.5861    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1483   -5.7417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9766   -5.0959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5436   -4.5122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4156   -3.4784    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.9201   -3.8511    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2517   -2.8571    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.8690   -1.9333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8690   -1.9333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2517   -1.0094    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.3726   -0.4013    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5446   -0.3023    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8034    0.6637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7693    0.9225    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0963    1.3708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3278   -2.4744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4962   -3.0851    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3178   -4.1321    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6259   -5.0835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6038   -5.2924    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9560   -5.8260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0057   -3.2797    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0019   -3.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4245   -2.2863    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5755   -4.0117    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5717   -3.9245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1453   -4.7436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7228   -5.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7266   -5.7372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1529   -4.9181    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1552   -1.1916    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8804   -0.2284    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.4806   -0.3840    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5875    0.4787    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3287    1.4446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3628    1.7035    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0358    2.1517    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.1963    1.5529    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0017    1.8929    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7770    3.1177    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.6165    3.7165    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8111    3.3765    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.5522    4.3424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2593    5.0495    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5863    4.6012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3275    5.5672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3616    5.8260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6545    5.1189    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9133    4.1530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8792    3.8941    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4841    3.8248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4500    3.5660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1571    4.2731    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8983    5.2390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9324    5.4978    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2253    4.7907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4821   -1.9333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3971    0.1014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2102   -0.7117    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2935    1.1613    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5487    1.6239    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0860    0.8792    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3585   -5.5844    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4645   -4.7134    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9243   -4.4819    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4079   -5.1171    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5347    1.8092    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6579    1.8092    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6579    0.9324    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5650   -1.9016    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7550   -2.2372    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0905   -3.0473    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -3.4568    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4957   -5.4107    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5407   -6.2863    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4163   -6.2413    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8337   -3.3626    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7630   -4.6896    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0784   -6.1578    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4646   -6.2991    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5353   -4.9722    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5297   -1.6857    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7099   -0.9145    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1622    1.2941    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3726    2.9381    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7659    6.0056    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2011    6.4249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0556    5.2793    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4749    3.7145    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0397    3.2953    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6105    2.9671    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7560    4.1126    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3367    5.6774    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7719    6.0967    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6264    4.9512    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7921   -1.3963    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9959   -0.0590    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5575    0.7003    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7982    0.2619    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3707   -1.3106    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8091   -0.5513    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0498   -0.1129    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  1  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  1  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 10 14  1  0  0  0  0
 11 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
  8 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 21 22  1  0  0  0  0
  3 21  1  0  0  0  0
 21 23  1  6  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 24 26  1  0  0  0  0
 18 27  1  6  0  0  0
 16 28  1  6  0  0  0
 10 29  1  1  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 30 32  1  0  0  0  0
  6 33  1  1  0  0  0
 33 34  1  0  0  0  0
 34 35  2  0  0  0  0
 34 36  1  0  0  0  0
 36 37  1  0  0  0  0
 37 38  2  0  0  0  0
 38 39  1  0  0  0  0
 39 40  2  0  0  0  0
 40 41  1  0  0  0  0
 36 41  2  0  0  0  0
  5 42  1  0  0  0  0
 42 43  1  0  0  0  0
 43 44  1  0  0  0  0
  2 43  1  0  0  0  0
 43 45  1  1  0  0  0
 45 46  1  0  0  0  0
 46 47  2  0  0  0  0
 46 48  1  0  0  0  0
 48 49  1  0  0  0  0
 48 50  1  1  0  0  0
 48 51  1  0  0  0  0
 51 52  1  0  0  0  0
 51 53  1  1  0  0  0
 53 54  1  0  0  0  0
 54 55  2  0  0  0  0
 54 56  1  0  0  0  0
 56 57  1  0  0  0  0
 57 58  2  0  0  0  0
 58 59  1  0  0  0  0
 59 60  2  0  0  0  0
 60 61  1  0  0  0  0
 56 61  2  0  0  0  0
 51 62  1  0  0  0  0
 62 63  1  0  0  0  0
 63 64  2  0  0  0  0
 64 65  1  0  0  0  0
 65 66  2  0  0  0  0
 66 67  1  0  0  0  0
 62 67  2  0  0  0  0
  5 68  1  6  0  0  0
  4 69  1  6  0  0  0
  4 70  1  0  0  0  0
  1 71  1  0  0  0  0
  1 72  1  0  0  0  0
  1 73  1  0  0  0  0
 14 74  1  0  0  0  0
 14 75  1  0  0  0  0
 15 76  1  0  0  0  0
 15 77  1  0  0  0  0
 26 78  1  0  0  0  0
 26 79  1  0  0  0  0
 26 80  1  0  0  0  0
 27 81  1  0  0  0  0
 27 82  1  0  0  0  0
 27 83  1  0  0  0  0
 28 84  1  0  0  0  0
 32 85  1  0  0  0  0
 32 86  1  0  0  0  0
 32 87  1  0  0  0  0
 37 88  1  0  0  0  0
 38 89  1  0  0  0  0
 39 90  1  0  0  0  0
 40 91  1  0  0  0  0
 41 92  1  0  0  0  0
 42 93  1  0  0  0  0
 42 94  1  0  0  0  0
 50 95  1  0  0  0  0
 53 96  1  0  0  0  0
 57 97  1  0  0  0  0
 58 98  1  0  0  0  0
 59 99  1  0  0  0  0
 60100  1  0  0  0  0
 61101  1  0  0  0  0
 63102  1  0  0  0  0
 64103  1  0  0  0  0
 65104  1  0  0  0  0
 66105  1  0  0  0  0
 67106  1  0  0  0  0
 68107  1  0  0  0  0
 69108  1  0  0  0  0
 69109  1  0  0  0  0
 69110  1  0  0  0  0
 70111  1  0  0  0  0
 70112  1  0  0  0  0
 70113  1  0  0  0  0
M  END
$$$$
Molecule Structure in 3D: Not available
✍: FYIcenter.com
2023-01-31, 169👍, 0💬