Molecule FYI-1004775

A

Molecule Summary:

ID: FYI-1004775
Names:
InChIKey: OJSKJQFODPKTBT-MSYPJMGYSA-N
SMILES: C=C[C@@]3(C)C=C2CCC1[C@@](C)(CO)[C@H](O)CC[C@@]1(C)[C@@H]2CC3

Received at FYIcenter.com on: 2023-09-23

Molecule ID: FYI-1004775 Edit

Molecule Structure InChIKey: OJSKJQFODPKTBT-MSYPJMGYSA-N

Molecule Structure SMILES String: C=C[C@@]3(C)C=C2CCC1[C@@](C)(CO)[C@H](O)CC[C@@]1(C)[C@@H]2CC3

Download SDF Download SVG Structure in 2D SDF:

FYI-1004775
FYIcenter.com

 22 24  0  0  1  0  0  0  0  0999 V2000
    4.8498    8.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125   10.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    0.7000    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
    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  3  4  1  1  0  0  0
  5  3  1  0  0  0  0
  5  6  1  1  0  0  0
  7  5  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
  9 10  1  1  0  0  0
 11  9  1  0  0  0  0
 12  9  1  0  0  0  0
 11 13  1  1  0  0  0
 14 13  1  0  0  0  0
 15 14  1  0  0  0  0
 15 16  1  1  0  0  0
 17 15  1  0  0  0  0
 18 17  2  0  0  0  0
 19 15  1  0  0  0  0
 20 19  2  0  0  0  0
 20 11  1  0  0  0  0
 21 20  1  0  0  0  0
 22 21  1  0  0  0  0
 12 22  1  0  0  0  0
 12  3  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1004775-3D
FYIcenter.com

 54 56  0  0  1  0  0  0  0  0999 V2000
    3.0808    0.8527   -1.0798 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6783   -0.0799   -0.2094 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4916   -0.7497    0.9075 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.9747   -0.3543    0.8949 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9872   -0.1771    2.1905 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3521   -0.8060    3.1784 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7811    0.0880    4.2599 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7040   -0.6152    5.5739 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2237   -2.0533    5.4569 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.3583   -2.4161    5.1471 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.1561   -1.1586    4.7895 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9660   -3.5392    4.1367 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5165   -3.6267    2.8059 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6421   -3.1314    6.4704 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.5044   -2.2142    7.5586 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4261   -4.3227    6.4874 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5209   -4.3905    5.2170 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1091   -2.9847    4.6628 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6123   -3.0238    5.0542 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0386   -2.3180    3.1802 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.7695   -3.0831    2.0530 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3098   -2.2869    0.8301 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3829    1.2545   -1.8070 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0968    1.2255   -1.1111 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6264   -0.3612   -0.2450 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1055    0.7334    1.0089 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4544   -0.6464   -0.0395 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5190   -0.8204    1.7274 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0691    0.9159    2.2718 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8042    0.4374    3.9435 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4027    0.9806    4.3959 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0959   -0.0499    6.2846 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7129   -0.6194    6.0150 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4636   -2.3179    6.4971 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9605   -0.9067    3.7361 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9178   -0.2868    5.3965 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2346   -1.3241    4.8673 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0481   -3.3659    4.0645 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9481   -4.5606    4.5407 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0190   -4.4625    2.6986 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6663   -3.5133    6.5402 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1691   -2.6835    8.3387 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1292   -5.2697    6.4868 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9817   -4.3005    7.4338 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1380   -5.0162    4.4086 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3406   -4.9881    5.6437 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7517   -3.2006    6.1261 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1380   -2.0849    4.8079 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1228   -3.8213    4.5241 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0048   -2.2718    2.8629 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0702   -3.8312    1.6531 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5957   -3.6724    2.4506 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6702   -2.5334   -0.0283 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2796   -2.7311    0.5682 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1 23  1  0  0  0  0
  1 24  1  0  0  0  0
  2 25  1  0  0  0  0
  3  2  1  6  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3 22  1  0  0  0  0
  4 26  1  0  0  0  0
  4 27  1  0  0  0  0
  4 28  1  0  0  0  0
  5  6  2  0  0  0  0
  5 29  1  0  0  0  0
  6  7  1  0  0  0  0
  6 20  1  0  0  0  0
  7  8  1  0  0  0  0
  7 30  1  0  0  0  0
  7 31  1  0  0  0  0
  8  9  1  0  0  0  0
  8 32  1  0  0  0  0
  8 33  1  0  0  0  0
  9 10  1  0  0  0  0
  9 18  1  0  0  0  0
  9 34  1  0  0  0  0
 10 11  1  6  0  0  0
 10 12  1  0  0  0  0
 10 14  1  0  0  0  0
 11 35  1  0  0  0  0
 11 36  1  0  0  0  0
 11 37  1  0  0  0  0
 12 13  1  0  0  0  0
 12 38  1  0  0  0  0
 12 39  1  0  0  0  0
 13 40  1  0  0  0  0
 14 16  1  0  0  0  0
 14 15  1  0  0  0  0
 14 41  1  6  0  0  0
 15 42  1  0  0  0  0
 16 17  1  0  0  0  0
 16 43  1  0  0  0  0
 16 44  1  0  0  0  0
 17 18  1  0  0  0  0
 17 45  1  0  0  0  0
 17 46  1  0  0  0  0
 18 19  1  1  0  0  0
 18 20  1  0  0  0  0
 19 47  1  0  0  0  0
 19 48  1  0  0  0  0
 19 49  1  0  0  0  0
 20 21  1  0  0  0  0
 20 50  1  6  0  0  0
 21 22  1  0  0  0  0
 21 51  1  0  0  0  0
 21 52  1  0  0  0  0
 22 53  1  0  0  0  0
 22 54  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-10-05, 1963👍, 0💬