Molecule FYI-1004134

A

Molecule Summary:

ID: FYI-1004134
Names:
InChIKey: VLXDPFLIRFYIME-XIQJJJERSA-N
SMILES: CC2=CC[C@H]1[C@@H]3[C@H](C(C)C)CC[C@]1(C)C23

Received at FYIcenter.com on: 2023-08-16

Molecule ID: FYI-1004134 Edit

Molecule Structure InChIKey: VLXDPFLIRFYIME-XIQJJJERSA-N

Molecule Structure SMILES String: CC2=CC[C@H]1[C@@H]3[C@H](C(C)C)CC[C@]1(C)C23

Download SDF Download SVG Structure in 2D SDF:

FYI-1004134
FYIcenter.com

 15 17  0  0  1  0  0  0  0  0999 V2000
    0.7258    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3640    1.1055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7892    2.2451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4887    3.3129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2645    3.0094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3124    2.1591    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1627    1.2070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1148    2.0574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4182    3.8331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3506    4.5327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2109    3.9578    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1054    4.5960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1054    5.8724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.9578    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2315    1.4392    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  6  0  0  0
  6  5  1  6  0  0  0
  7  6  1  0  0  0  0
  7  2  1  0  0  0  0
  8  7  1  0  0  0  0
  8  5  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
 11  6  1  0  0  0  0
 11 12  1  6  0  0  0
 13 12  1  0  0  0  0
 14 12  1  0  0  0  0
  8 15  1  1  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1004134-3D
FYIcenter.com

 39 41  0  0  1  0  0  0  0  0999 V2000
    1.7763   -1.9676    1.3105 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8568   -0.5322    0.9068 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8913    0.3231    1.0181 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9237    1.5049   -0.0111 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5861    1.4475   -1.0509 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.0951    0.2497   -1.1243 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.0286   -0.2321   -0.1174 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.9057   -1.3980   -0.5900 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8119   -1.8820    0.5550 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7090   -1.1603   -1.8515 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6233    0.9992    0.5412 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3900    1.6871    1.1578 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6725    1.8230    0.0653 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.2051    3.1535   -0.6717 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1681   -0.0816   -0.2502 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.5965   -2.5836    0.4056 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7103   -2.3320    1.7396 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9509   -2.1578    1.9920 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7535    0.1203    1.6502 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9190    2.4498    0.5515 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8366    1.4583   -0.6130 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8121    2.0025   -1.9732 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0619   -0.2745   -2.0933 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5831   -0.7301    0.7570 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2123   -2.2244   -0.8051 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3475   -2.7943    0.2720 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5591   -1.1254    0.8264 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2285   -2.1114    1.4546 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1246   -2.1172   -2.1942 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0829   -0.7765   -2.6608 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5369   -0.4697   -1.6839 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1353    1.6243   -0.1938 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3387    0.7635    1.3291 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6873    2.6635    1.5588 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0138    1.1247    2.0213 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8765    3.1794   -0.8240 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4703    4.0142   -0.0437 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6193    3.3862   -1.6597 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8486   -0.5255   -1.0459 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 16  1  0  0  0  0
  1 17  1  0  0  0  0
  1 18  1  0  0  0  0
  2  3  2  0  0  0  0
  2 15  1  0  0  0  0
  3  4  1  0  0  0  0
  3 19  1  0  0  0  0
  4  5  1  0  0  0  0
  4 20  1  0  0  0  0
  4 21  1  0  0  0  0
  5  6  1  0  0  0  0
  5 13  1  0  0  0  0
  5 22  1  6  0  0  0
  6  7  1  0  0  0  0
  6 15  1  0  0  0  0
  6 23  1  6  0  0  0
  7 11  1  0  0  0  0
  7  8  1  0  0  0  0
  7 24  1  1  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 25  1  0  0  0  0
  9 26  1  0  0  0  0
  9 27  1  0  0  0  0
  9 28  1  0  0  0  0
 10 29  1  0  0  0  0
 10 30  1  0  0  0  0
 10 31  1  0  0  0  0
 11 12  1  0  0  0  0
 11 32  1  0  0  0  0
 11 33  1  0  0  0  0
 12 13  1  0  0  0  0
 12 34  1  0  0  0  0
 12 35  1  0  0  0  0
 13 15  1  0  0  0  0
 13 14  1  6  0  0  0
 14 36  1  0  0  0  0
 14 37  1  0  0  0  0
 14 38  1  0  0  0  0
 15 39  1  0  0  0  0
M  END
$$$$

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2023-08-25, 2465👍, 0💬