Molecule FYI-1007476

A

Molecule Summary:

ID: FYI-1007476
Names:
InChIKey: UZWLNBWIIKVXSW-QFUJVLJYSA-N
SMILES: CO[C@@H]6C[C@H](O[C@H]5CC[C@@]1(C)[C@H](CC[C@]4(O)[C@@H]1CC[C@]3(C)[C@@H](C2=CC(=O)OC2)CC[C@@]34O)C5)O[C@H](C)[C@@H]6O

Received at FYIcenter.com on: 2024-02-23

Molecule ID: FYI-1007476 Edit

Molecule Structure InChIKey: UZWLNBWIIKVXSW-QFUJVLJYSA-N

Molecule Structure SMILES String: CO[C@@H]6C[C@H](O[C@H]5CC[C@@]1(C)[C@H](CC[C@]4(O)[C@@H]1CC[C@]3(C)[C@@H](C2=CC(=O)OC2)CC[C@@]34O)C5)O[C@H](C)[C@@H]6O

Download SDF Download SVG Structure in 2D SDF:

FYI-1007476
FYIcenter.com

 38 43  0  0  1  0  0  0  0  0999 V2000
    6.0401   10.8258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8321   10.1284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6241   10.8258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4161   10.1284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4161    8.7335    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6241    8.0360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8321    8.7335    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6241    6.6411    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8321    5.9436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0401    6.6411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2483    5.9436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2483    4.5487    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0401    3.8512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8321    4.5487    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0401    2.4563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2483    1.7589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4563    2.3845    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4563    3.9231    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5871    4.7398    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8599    4.1687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1709    2.6618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8431    2.2347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2794    3.5106    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8391    0.8397    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1645    0.4048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9877    1.5309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3826    1.5269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1992    0.3960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5271    0.8231    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6532    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.5312    2.2181    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.2057    2.6530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4477    3.2237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4400    5.2736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2080   10.8258    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   10.1284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6241   12.2208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    3.0283    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  1  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
  7  2  1  0  0  0  0
  6  8  1  1  0  0  0
  9  8  1  1  0  0  0
 10  9  1  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 14  1  6  0  0  0
 14  9  1  0  0  0  0
 15 13  1  0  0  0  0
 16 15  1  0  0  0  0
 17 16  1  0  0  0  0
 18 17  1  0  0  0  0
 18 12  1  0  0  0  0
 18 19  1  1  0  0  0
 20 19  1  0  0  0  0
 21 20  1  0  0  0  0
 22 21  1  0  0  0  0
 22 17  1  0  0  0  0
 22 23  1  1  0  0  0
 24 22  1  0  0  0  0
 25 24  1  0  0  0  0
 26 25  1  0  0  0  0
 26 21  1  0  0  0  0
 26 27  1  1  0  0  0
 28 27  2  0  0  0  0
 29 28  1  0  0  0  0
 30 29  2  0  0  0  0
 31 29  1  0  0  0  0
 32 31  1  0  0  0  0
 32 27  1  0  0  0  0
 21 33  1  1  0  0  0
 12 34  1  1  0  0  0
  4 35  1  1  0  0  0
 36 35  1  0  0  0  0
  3 37  1  1  0  0  0
 17 38  1  1  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007476-3D
FYIcenter.com

 84 89  0     1  0  0  0  0  0999 V2000
    2.3357   -3.0248    1.2741 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1719   -2.8498   -0.7160 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6054   -0.8549   -0.4266 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0044    2.8339   -0.5114 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3592    1.3578   -0.2786 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3947    4.5621    0.8806 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2724    0.0753    0.2074 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6188    1.9154    1.4323 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9659   -2.2588    0.1168 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.2903   -1.7278   -0.5362 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.0685   -1.0732    0.5850 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.0266   -0.6116    0.3120 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.3740   -1.4849    1.0905 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.0572   -2.4113    0.0348 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.8064   -0.1249    1.5616 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3194   -0.3142    1.6491 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9941    0.6436   -0.6220 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.2086   -3.2228   -0.8256 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0950   -1.1026   -1.9433 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1751   -3.6193   -0.3160 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0908    0.0437   -2.0198 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2732   -0.2303    1.3179 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4776   -1.6567   -1.2481 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4851   -1.0173    0.6526 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3391   -2.2311    2.4529 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6785    0.4997    0.0378 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3497   -0.4380   -0.9580 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.0160    1.7071   -0.3769 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3557    1.6536   -0.9966 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8817    2.7887    0.3859 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6452    0.0517   -0.7805 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.1497    3.5155    0.3058 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9485   -0.4739   -0.1853 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0890    0.5024   -0.4552 C   0  0  2  0  0  0  0  0  0  0  0  0
   -5.3701    2.3196   -0.6138 C   0  0  1  0  0  0  0  0  0  0  0  0
   -6.7152    1.9126    0.0067 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.8809    3.6794   -0.1300 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.4316    0.6661   -0.3638 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9009   -0.4687   -0.3132 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9808   -2.8120    0.4771 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4169   -0.2013    2.5802 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5944    0.9092    1.2595 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7564    0.5733    2.1240 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5171   -1.1331    2.3534 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0057    1.1191   -0.5493 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7816   -4.1489   -0.9580 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0964   -2.7857   -1.8225 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0892   -0.6901   -2.0721 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2676   -1.8142   -2.7578 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6735   -4.2311   -1.0786 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0671   -4.2715    0.5581 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0875   -0.3508   -2.2479 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8201    0.7596   -2.8030 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7802    0.4809    1.9909 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1930   -0.5337    1.8371 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6001   -1.3310   -1.8165 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0354   -2.3489   -1.8916 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0798   -1.2195   -0.2434 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4983   -1.9298    1.2614 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9945   -0.2489    1.2439 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2785   -3.1300    2.4393 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3478   -2.5538    2.7397 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0221   -1.5946    3.2655 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2819    1.3586    0.3279 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7849    0.9293   -0.4306 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5013    0.0879   -1.9100 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9569   -3.7161    0.9880 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7844   -3.4463   -1.3776 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9561    0.7929   -0.7004 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3168    1.7164   -2.0880 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0257    3.0969    0.9608 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7284    0.0882   -1.8751 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8351   -0.6249    0.8968 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1864   -1.4668   -0.5862 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2601    0.5095   -1.5410 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4634    2.3581   -1.7068 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4885    2.6366   -0.2688 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6309    3.6625    0.9361 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6271    4.4588   -0.3103 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9590    3.9542   -0.6547 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5732    2.8415    1.7238 H   0  0  0  0  0  0  0  0  0  0  0  0
  -10.3067    0.2187    0.1165 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.4927    0.4596   -1.4370 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.4662    1.7425   -0.1789 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0  0  0  0
  1 67  1  0  0  0  0
  2 10  1  0  0  0  0
  2 68  1  0  0  0  0
  3 27  1  0  0  0  0
  3 31  1  0  0  0  0
  4 29  1  0  0  0  0
  4 32  1  0  0  0  0
  5 31  1  0  0  0  0
  5 35  1  0  0  0  0
  6 32  2  0  0  0  0
  7 34  1  0  0  0  0
  7 38  1  0  0  0  0
  8 36  1  0  0  0  0
  8 81  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 18  1  0  0  0  0
 10 12  1  0  0  0  0
 10 19  1  0  0  0  0
 11 13  1  0  0  0  0
 11 15  1  0  0  0  0
 11 39  1  0  0  0  0
 12 16  1  0  0  0  0
 12 17  1  0  0  0  0
 12 24  1  0  0  0  0
 13 14  1  0  0  0  0
 13 22  1  0  0  0  0
 13 25  1  0  0  0  0
 14 20  1  0  0  0  0
 14 23  1  0  0  0  0
 14 40  1  0  0  0  0
 15 16  1  0  0  0  0
 15 41  1  0  0  0  0
 15 42  1  0  0  0  0
 16 43  1  0  0  0  0
 16 44  1  0  0  0  0
 17 21  1  0  0  0  0
 17 28  1  0  0  0  0
 17 45  1  0  0  0  0
 18 20  1  0  0  0  0
 18 46  1  0  0  0  0
 18 47  1  0  0  0  0
 19 21  1  0  0  0  0
 19 48  1  0  0  0  0
 19 49  1  0  0  0  0
 20 50  1  0  0  0  0
 20 51  1  0  0  0  0
 21 52  1  0  0  0  0
 21 53  1  0  0  0  0
 22 26  1  0  0  0  0
 22 54  1  0  0  0  0
 22 55  1  0  0  0  0
 23 27  1  0  0  0  0
 23 56  1  0  0  0  0
 23 57  1  0  0  0  0
 24 58  1  0  0  0  0
 24 59  1  0  0  0  0
 24 60  1  0  0  0  0
 25 61  1  0  0  0  0
 25 62  1  0  0  0  0
 25 63  1  0  0  0  0
 26 27  1  0  0  0  0
 26 64  1  0  0  0  0
 26 65  1  0  0  0  0
 27 66  1  0  0  0  0
 28 29  1  0  0  0  0
 28 30  2  0  0  0  0
 29 69  1  0  0  0  0
 29 70  1  0  0  0  0
 30 32  1  0  0  0  0
 30 71  1  0  0  0  0
 31 33  1  0  0  0  0
 31 72  1  0  0  0  0
 33 34  1  0  0  0  0
 33 73  1  0  0  0  0
 33 74  1  0  0  0  0
 34 36  1  0  0  0  0
 34 75  1  0  0  0  0
 35 36  1  0  0  0  0
 35 37  1  0  0  0  0
 35 76  1  0  0  0  0
 36 77  1  0  0  0  0
 37 78  1  0  0  0  0
 37 79  1  0  0  0  0
 37 80  1  0  0  0  0
 38 82  1  0  0  0  0
 38 83  1  0  0  0  0
 38 84  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2024-03-07, 1271👍, 0💬