Molecule FYI-1001353

A

Molecule Summary:

ID: FYI-1001353
SMILES: [H][C@]24CCC(C)=C[C@H](O[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O)[C@]2(C)CC[C@@]3(C)CCC(C(C)C)=C34

Received at FYIcenter.com on: 2022-06-04

Molecule ID: FYI-1001353 Edit

Molecule Structure SMILES String: [H][C@]24CCC(C)=C[C@H](O[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O)[C@]2(C)CC[C@@]3(C)CCC(C(C)C)=C34

Download SDF Download SVG Structure in 2D SDF:

FYI-1001353
FYIcenter.com

 70 73  0  0  1  0  0  0  0  0999 V2000
    6.4524   -2.2108    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3917   -1.3629    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.6208   -1.9693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6655   -1.7472    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2412   -0.8629    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2412   -0.8629    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6655    0.0213    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6208    0.2434    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.1804    0.6797    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8381    1.2195    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1014    1.8957    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.9667    1.2905    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3187    2.8718    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5820    3.5481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6280    3.2482    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.0365    3.0622    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8913    3.9244    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4107    2.2721    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.2760    1.6669    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4568    1.9722    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1474    1.5958    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.6042    1.1766    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9302    0.6197    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3917   -0.3629    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.3917    0.6371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    0.1371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1238   -0.3629    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1238   -1.3629    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.9898   -0.8629    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8608   -2.0300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4557   -2.9378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4670   -2.8348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7991   -3.5791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1098   -4.5296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8206   -3.3728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578   -1.8629    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3491   -2.5265    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1033   -2.3587    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0608   -1.8838    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6636   -2.3672    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2412   -0.2429    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6212   -0.8629    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2412   -1.4829    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2777    0.5050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0742    3.9251    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2962    4.0983    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0260    4.5296    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    2.3914    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3387    0.4338    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0117    0.6371    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3917    1.2571    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7717    0.6371    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6563    0.6120    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8592    0.6120    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7344   -0.4706    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3358    0.2197    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2998   -1.3999    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5268   -0.5529    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6798   -0.3260    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3973   -2.3408    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2263   -1.5292    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3270   -3.5443    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0453   -3.1296    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4058   -3.7069    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5205   -4.7222    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3024   -5.1189    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6991   -4.3370    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9485   -2.7662    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2140   -3.2450    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6928   -3.9795    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  6  0  0  0
  2  3  1  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
  5  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  6  0  0  0
 11 10  1  1  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  6  0  0  0
 15 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  1  0  0  0
 18 21  1  0  0  0  0
 21 22  1  0  0  0  0
 11 21  1  0  0  0  0
 21 23  1  6  0  0  0
  8 24  1  0  0  0  0
  2 24  1  0  0  0  0
 24 25  1  1  0  0  0
 24 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  6  0  0  0
 28 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 33 35  1  0  0  0  0
 32 36  2  0  0  0  0
 28 36  1  0  0  0  0
  2 36  1  0  0  0  0
  3 37  1  0  0  0  0
  3 38  1  0  0  0  0
  4 39  1  0  0  0  0
  4 40  1  0  0  0  0
  6 41  1  0  0  0  0
  6 42  1  0  0  0  0
  6 43  1  0  0  0  0
  7 44  1  0  0  0  0
 14 45  1  0  0  0  0
 14 46  1  0  0  0  0
 17 47  1  0  0  0  0
 20 48  1  0  0  0  0
 23 49  1  0  0  0  0
 25 50  1  0  0  0  0
 25 51  1  0  0  0  0
 25 52  1  0  0  0  0
 26 53  1  0  0  0  0
 26 54  1  0  0  0  0
 27 55  1  0  0  0  0
 27 56  1  0  0  0  0
 29 57  1  0  0  0  0
 29 58  1  0  0  0  0
 29 59  1  0  0  0  0
 30 60  1  0  0  0  0
 30 61  1  0  0  0  0
 31 62  1  0  0  0  0
 31 63  1  0  0  0  0
 33 64  1  0  0  0  0
 34 65  1  0  0  0  0
 34 66  1  0  0  0  0
 34 67  1  0  0  0  0
 35 68  1  0  0  0  0
 35 69  1  0  0  0  0
 35 70  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1001353-3D
FYIcenter.com

 70 73  0  0  1  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  1  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
    0.0000    0.0000    0.0000 C   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
    0.0000    0.0000    0.0000 C   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
    0.0000    0.0000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0000    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  2  0  0  0  0  0  0  0  0  0
    0.0000    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
    0.0000    0.0000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.0000    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  2  0  0  0  0  0  0  0  0  0
    0.0000    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  1  0  0  0  0  0  0  0  0  0
    0.0000    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  1  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
    0.0000    0.0000    0.0000 C   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
    0.0000    0.0000    0.0000 C   0  0  1  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
    0.0000    0.0000    0.0000 C   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
    0.0000    0.0000    0.0000 C   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
    0.0000    0.0000    0.0000 C   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
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2 19  1  0  0  0  0
  2 31  1  6  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3 32  1  0  0  0  0
  3 33  1  0  0  0  0
  4  5  1  1  0  0  0
  4 34  1  0  0  0  0
  4 35  1  0  0  0  0
  5  6  1  6  0  0  0
  5  7  2  0  0  0  0
  6 36  1  0  0  0  0
  6 37  1  0  0  0  0
  6 38  1  0  0  0  0
  7  8  1  1  0  0  0
  7 39  1  6  0  0  0
  8  9  1  0  0  0  0
  8 19  1  0  0  0  0
  8 40  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 17  1  0  0  0  0
 10 41  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 42  1  0  0  0  0
 12 43  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 13 44  1  0  0  0  0
 14 45  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 15 46  1  0  0  0  0
 16 47  1  0  0  0  0
 17 18  1  0  0  0  0
 17 48  1  0  0  0  0
 18 49  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  1  0  0  0  0
 20 50  1  0  0  0  0
 20 51  1  0  0  0  0
 20 52  1  0  0  0  0
 21 22  1  0  0  0  0
 21 53  1  0  0  0  0
 21 54  1  0  0  0  0
 22 23  1  0  0  0  0
 22 55  1  0  0  0  0
 22 56  1  0  0  0  0
 23 31  1  1  0  0  0
 23 24  1  0  0  0  0
 23 25  1  0  0  0  0
 24 57  1  0  0  0  0
 24 58  1  0  0  0  0
 24 59  1  0  0  0  0
 25 26  1  0  0  0  0
 25 60  1  0  0  0  0
 25 61  1  0  0  0  0
 26 27  1  1  0  0  0
 26 62  1  0  0  0  0
 26 63  1  0  0  0  0
 27 28  1  6  0  0  0
 27 31  2  0  0  0  0
 28 29  1  0  0  0  0
 28 30  1  0  0  0  0
 28 64  1  0  0  0  0
 29 65  1  0  0  0  0
 29 66  1  0  0  0  0
 29 67  1  0  0  0  0
 30 68  1  0  0  0  0
 30 69  1  0  0  0  0
 30 70  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2022-07-26, 2737👍, 0💬