Molecule FYI-1007019

A

Molecule Summary:

ID: FYI-1007019
Names:
InChIKey: LPZCCMIISIBREI-JXMPMKKESA-N
SMILES: C/C=C(CC[C@@H](C)C4CCC3C2=CCC1[C@H](C)[C@@H](O)CC[C@]1(C)C2CC[C@@]34C)\\C(C)C

Received at FYIcenter.com on: 2024-01-24

Molecule ID: FYI-1007019 Edit

Molecule Structure InChIKey: LPZCCMIISIBREI-JXMPMKKESA-N

Molecule Structure SMILES String: C/C=C(CC[C@@H](C)C4CCC3C2=CCC1[C@H](C)[C@@H](O)CC[C@]1(C)C2CC[C@@]34C)\C(C)C

Download SDF Download SVG Structure in 2D SDF:

FYI-1007019
FYIcenter.com

 35 38  0  0  1  0  0  0  0  0999 V2000
    3.6373    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4209    6.9924    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6061    6.0328    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6465    6.9695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9779    6.5369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9679    7.5268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3203    7.1645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3101    8.1545    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9478    9.5068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6624    7.7920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6826    5.8122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0349    5.4498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3554    8.3390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4289    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6061    3.7675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3150    7.4021    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.8000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2123    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2123    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.8000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  1  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
  6  7  1  1  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  3  9  1  0  0  0  0
  6 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 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  0  0  0  0
 14 18  2  0  0  0  0
 18 19  1  0  0  0  0
 11 20  1  6  0  0  0
 10 21  1  0  0  0  0
 21 22  1  0  0  0  0
  5 22  1  0  0  0  0
 10 23  1  6  0  0  0
  5 24  1  6  0  0  0
  4 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
  2 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  1  0  0  0
 30 32  1  0  0  0  0
 32 33  1  0  0  0  0
  2 33  1  0  0  0  0
 27 34  1  6  0  0  0
  3 35  1  6  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007019-3D
FYIcenter.com

 81 84  0     1  0  0  0  0  0999 V2000
   -7.9418    0.3045    1.1620 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5334   -0.8701   -0.5458 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.0925    0.5380   -0.6200 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.2465   -0.2998    0.4679 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.8091   -0.4869    0.2892 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.0339   -0.4897   -0.5054 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.5995    0.5056   -0.6645 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4151    0.8905   -0.1467 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0257   -1.5404    0.7411 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5078   -1.6415    0.7524 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7375    1.2340   -1.7034 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1549    0.6615   -1.5279 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4325   -0.9039    1.6464 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9719    0.9162   -0.1470 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.8176    1.3363   -1.4974 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0248   -1.6165   -0.7617 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.2025   -1.7501   -1.7769 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3258    1.2011   -1.5549 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1222   -1.5852   -0.7634 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9553   -0.9064    1.6313 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5233    0.4453    1.2147 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.4690   -1.0722   -0.7257 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5211    2.3117   -0.4873 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8097   -2.7447    0.2525 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8264   -0.3671    0.5905 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2261    0.2186    0.5836 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4586    1.5298    1.3333 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2514   -0.3475   -0.0873 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2558    2.7443    0.4225 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6065    1.6536    2.5980 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6659    0.1309   -0.1702 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1439    1.0713    0.3168 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0959    0.3200    1.3659 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2074   -0.0668    0.4927 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0951    1.6314    0.6039 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3470   -0.9700    1.6221 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3964   -2.5560    0.8734 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7953   -2.4058    0.0243 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8155   -2.0252    1.7323 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7290    2.3228   -1.5864 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3695    1.0069   -2.7105 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5293    0.3190   -2.4993 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8409    1.4345   -1.1644 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0952   -0.2164    2.4332 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0875   -1.9022    1.9401 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3544    0.2445   -0.9257 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0514    2.3942   -1.6637 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2620    0.7781   -2.3293 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8792   -2.0374   -1.7644 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5383   -2.7820   -1.6378 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8725   -1.7934   -1.9773 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6731   -1.3773   -2.6926 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8342    1.7686   -2.3395 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9231   -2.5870   -0.3674 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1720   -1.5832   -1.0690 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5232   -1.4688   -1.6719 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3353   -1.6956    0.9708 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3280   -1.1670    2.6302 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2933    1.1950    1.9822 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1318   -1.9296   -0.8922 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6332   -0.3915   -1.5704 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6134    2.3352   -0.4118 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1201    3.0705    0.1928 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2705    2.6005   -1.5122 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9906   -3.4042   -0.0408 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6952   -3.3911    0.2858 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6528   -2.3729    1.2696 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2469    0.0568    2.0516 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7217   -1.0406    1.4476 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1349    0.4648    0.7311 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4926    1.5568    1.6981 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0973   -1.2879   -0.6080 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2223    2.8027    0.0628 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9127    2.7036   -0.4527 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4767    3.6722    0.9609 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5483    1.8257    2.3768 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9469    2.5047    3.1993 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6892    0.7577    3.2231 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8088    1.1747    0.1143 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3081   -0.4951    0.4567 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0145    0.0392   -1.2047 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 21  1  0  0  0  0
  1 68  1  0  0  0  0
  2  3  1  0  0  0  0
  2  6  1  0  0  0  0
  2  9  1  0  0  0  0
  2 17  1  0  0  0  0
  3  7  1  0  0  0  0
  3 11  1  0  0  0  0
  3 32  1  0  0  0  0
  4  5  1  0  0  0  0
  4  7  1  0  0  0  0
  4 10  1  0  0  0  0
  4 33  1  0  0  0  0
  5  8  1  0  0  0  0
  5 13  1  0  0  0  0
  5 19  1  0  0  0  0
  6 12  1  0  0  0  0
  6 16  1  0  0  0  0
  6 34  1  0  0  0  0
  7 18  2  0  0  0  0
  8 14  1  0  0  0  0
  8 15  1  0  0  0  0
  8 35  1  0  0  0  0
  9 10  1  0  0  0  0
  9 36  1  0  0  0  0
  9 37  1  0  0  0  0
 10 38  1  0  0  0  0
 10 39  1  0  0  0  0
 11 12  1  0  0  0  0
 11 40  1  0  0  0  0
 11 41  1  0  0  0  0
 12 42  1  0  0  0  0
 12 43  1  0  0  0  0
 13 20  1  0  0  0  0
 13 44  1  0  0  0  0
 13 45  1  0  0  0  0
 14 21  1  0  0  0  0
 14 23  1  0  0  0  0
 14 46  1  0  0  0  0
 15 18  1  0  0  0  0
 15 47  1  0  0  0  0
 15 48  1  0  0  0  0
 16 22  1  0  0  0  0
 16 24  1  0  0  0  0
 16 49  1  0  0  0  0
 17 50  1  0  0  0  0
 17 51  1  0  0  0  0
 17 52  1  0  0  0  0
 18 53  1  0  0  0  0
 19 54  1  0  0  0  0
 19 55  1  0  0  0  0
 19 56  1  0  0  0  0
 20 21  1  0  0  0  0
 20 57  1  0  0  0  0
 20 58  1  0  0  0  0
 21 59  1  0  0  0  0
 22 25  1  0  0  0  0
 22 60  1  0  0  0  0
 22 61  1  0  0  0  0
 23 62  1  0  0  0  0
 23 63  1  0  0  0  0
 23 64  1  0  0  0  0
 24 65  1  0  0  0  0
 24 66  1  0  0  0  0
 24 67  1  0  0  0  0
 25 26  1  0  0  0  0
 25 69  1  0  0  0  0
 25 70  1  0  0  0  0
 26 27  1  0  0  0  0
 26 28  2  0  0  0  0
 27 29  1  0  0  0  0
 27 30  1  0  0  0  0
 27 71  1  0  0  0  0
 28 31  1  0  0  0  0
 28 72  1  0  0  0  0
 29 73  1  0  0  0  0
 29 74  1  0  0  0  0
 29 75  1  0  0  0  0
 30 76  1  0  0  0  0
 30 77  1  0  0  0  0
 30 78  1  0  0  0  0
 31 79  1  0  0  0  0
 31 80  1  0  0  0  0
 31 81  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2024-02-11, 1389👍, 0💬