Molecule FYI-1006893

A

Molecule Summary:

ID: FYI-1006893
Names:
InChIKey: DKODPYKVVJKLFU-UHFFFAOYSA-N
SMILES: CCN5CC3(CO)CCC(O)C46C1CC2C(OC)CC(O)(C1C2OC)C(O)(C(OC)C34)C56

Received at FYIcenter.com on: 2024-01-22

Molecule ID: FYI-1006893 Edit

Molecule Structure InChIKey: DKODPYKVVJKLFU-UHFFFAOYSA-N

Molecule Structure SMILES String: CCN5CC3(CO)CCC(O)C46C1CC2C(OC)CC(O)(C1C2OC)C(O)(C(OC)C34)C56

Download SDF Download SVG Structure in 2D SDF:

FYI-1006893
FYIcenter.com

 32 37  0  0  0  0  0  0  0  0999 V2000
    5.1049    2.3844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7847    1.2167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1773    0.9249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2095    0.3771    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1488    3.8706    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7958    2.3844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3783    5.0938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5358    4.4538    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5506    3.3014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5710    2.7345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5617    3.3202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5469    4.4796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5412    5.0460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2763    3.1881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2888    4.4379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1954    5.0743    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1038    4.4541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0914    3.1901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1773    2.5533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1773    6.3254    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5247    6.2117    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5597    2.7393    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4755    1.2167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2330    2.1346    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2731    5.7207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0091    3.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5558    3.3228    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7685    3.6785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.3687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4117    1.5021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5279    6.7950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7641    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  7 15  1  0  0  0  0
  1  2  1  0  0  0  0
 14 19  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
  6 14  1  0  0  0  0
 16 20  1  0  0  0  0
  1  9  1  0  0  0  0
 13 21  1  0  0  0  0
  1  6  1  0  0  0  0
 11 22  1  0  0  0  0
  8 13  1  0  0  0  0
  6 23  1  0  0  0  0
  9 10  1  0  0  0  0
  9 24  1  0  0  0  0
 10 11  1  0  0  0  0
 15 25  1  0  0  0  0
  1 25  1  0  0  0  0
 11 12  1  0  0  0  0
  7 26  1  0  0  0  0
 12 26  1  0  0  0  0
 12 13  1  0  0  0  0
 22 27  1  0  0  0  0
  5 25  1  0  0  0  0
 14 15  1  0  0  0  0
  5 28  1  0  0  0  0
  7  8  1  0  0  0  0
 28 29  1  0  0  0  0
  3  4  1  0  0  0  0
 19 30  1  0  0  0  0
  5 30  1  0  0  0  0
  3 19  1  0  0  0  0
  8  9  1  0  0  0  0
 21 31  1  0  0  0  0
 23 32  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1006893-3D
FYIcenter.com

 71 76  0  0  1  0  0  0  0  0999 V2000
    3.4857    0.3929   -1.9970 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6398    1.2900   -1.1006 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5088    2.7243   -1.2440 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5276    3.3107   -0.4091 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2304    4.4995    0.2756 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.9666    3.9870    1.5280 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0981    3.2632    2.3928 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9720    5.3526    0.5744 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7502    6.3431   -0.5692 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3210    6.0110   -2.0041 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.3674    7.3031   -2.6388 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7547    5.3335   -2.0921 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.8163    6.0748   -3.3579 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.4873    6.3352   -3.4603 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0228    5.8991   -4.9299 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.4793    4.4492   -5.2647 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.7959    4.3487   -5.7892 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8111    4.7106   -7.1786 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2030    3.6079   -4.0748 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6992    3.8271   -3.7996 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.1055    2.6697   -4.4598 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8923    5.1072   -4.5148 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.6983    5.9056   -5.6313 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.3647    7.2765   -5.8746 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2259    7.8841   -6.8615 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4584    3.7427   -2.2163 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.2173    2.6374   -1.7298 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6589    4.9066   -1.0611 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.6566    4.6497   -0.0735 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0274    5.8222    0.6770 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2629    5.3568   -0.6529 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.9223    3.6723   -2.2537 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.4700   -0.6276   -1.5789 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5446    0.6362   -2.0375 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0861    0.3401   -3.0141 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0171    1.1236   -0.0852 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6417    0.8459   -1.1202 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1155    2.6027    0.3190 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6652    3.5668   -1.0427 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7872    3.3125    1.2416 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3783    4.8243    2.1007 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6624    2.8491    3.0748 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0497    5.8600    1.5360 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0584    4.7306    0.6789 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1849    7.3032   -0.2214 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3230    6.5741   -0.6517 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5905    5.4217   -2.5639 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9637    7.8780   -2.1232 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3568    7.0209   -3.6516 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1466    5.8167   -2.7638 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6567    7.4033   -3.3048 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7985    6.6100   -5.2191 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8549    3.9738   -6.0377 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6283    4.1829   -7.6809 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9748    5.7875   -7.2646 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8845    4.4473   -7.7050 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8641    3.8742   -3.2460 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4274    2.5518   -4.2968 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2929    1.9119   -3.8715 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9035    4.8355   -4.8990 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6529    5.3945   -6.5993 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2071    7.3909   -6.9688 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4194    8.9204   -6.5842 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7458    7.8556   -7.8327 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8766    3.0319   -1.1205 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0011    5.8456   -1.4522 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0652    6.7511    0.0863 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0268    5.6676    1.0949 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3243    5.9541    1.5007 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3237    6.3652   -0.2244 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4182    3.3948   -3.1856 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 33  1  0  0  0  0
  1 34  1  0  0  0  0
  1 35  1  0  0  0  0
  2  3  1  0  0  0  0
  2 36  1  0  0  0  0
  2 37  1  0  0  0  0
  3  4  1  0  0  0  0
  3 32  1  0  0  0  0
  4  5  1  0  0  0  0
  4 38  1  0  0  0  0
  4 39  1  0  0  0  0
  5  6  1  0  0  0  0
  5  8  1  0  0  0  0
  5 31  1  0  0  0  0
  6  7  1  0  0  0  0
  6 40  1  0  0  0  0
  6 41  1  0  0  0  0
  7 42  1  0  0  0  0
  8  9  1  0  0  0  0
  8 43  1  0  0  0  0
  8 44  1  0  0  0  0
  9 10  1  0  0  0  0
  9 45  1  0  0  0  0
  9 46  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 10 47  1  0  0  0  0
 11 48  1  0  0  0  0
 12 13  1  0  0  0  0
 12 31  1  0  0  0  0
 12 32  1  0  0  0  0
 13 14  1  0  0  0  0
 13 22  1  0  0  0  0
 13 49  1  0  0  0  0
 14 15  1  0  0  0  0
 14 50  1  0  0  0  0
 14 51  1  0  0  0  0
 15 16  1  0  0  0  0
 15 23  1  0  0  0  0
 15 52  1  0  0  0  0
 16 17  1  0  0  0  0
 16 19  1  0  0  0  0
 16 53  1  0  0  0  0
 17 18  1  0  0  0  0
 18 54  1  0  0  0  0
 18 55  1  0  0  0  0
 18 56  1  0  0  0  0
 19 20  1  0  0  0  0
 19 57  1  0  0  0  0
 19 58  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
 20 26  1  0  0  0  0
 21 59  1  0  0  0  0
 22 23  1  0  0  0  0
 22 60  1  0  0  0  0
 23 24  1  0  0  0  0
 23 61  1  0  0  0  0
 24 25  1  0  0  0  0
 25 62  1  0  0  0  0
 25 63  1  0  0  0  0
 25 64  1  0  0  0  0
 26 27  1  0  0  0  0
 26 28  1  0  0  0  0
 26 32  1  0  0  0  0
 27 65  1  0  0  0  0
 28 29  1  0  0  0  0
 28 31  1  0  0  0  0
 28 66  1  0  0  0  0
 29 30  1  0  0  0  0
 30 67  1  0  0  0  0
 30 68  1  0  0  0  0
 30 69  1  0  0  0  0
 31 70  1  0  0  0  0
 32 71  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2024-01-31, 1672👍, 0💬