Molecule FYI-1007329

A

Molecule Summary:

ID: FYI-1007329
Names:
InChIKey: BWPXFTDHCVFQEO-ZBVPBQFDSA-N
SMILES: C[C@@H](C[C@@H](O)[C@H](O)C(C)(C)O)[C@@H]4CC[C@]5(C)C3=CC[C@H]2C(C)(C)C(=O)/C(=C\\c1ccc(Br)cc1)C[C@]2(C)[C@H]3CC[C@@]45C

Received at FYIcenter.com on: 2024-02-16

Molecule ID: FYI-1007329 Edit

Molecule Structure InChIKey: BWPXFTDHCVFQEO-ZBVPBQFDSA-N

Molecule Structure SMILES String: C[C@@H](C[C@@H](O)[C@H](O)C(C)(C)O)[C@@H]4CC[C@]5(C)C3=CC[C@H]2C(C)(C)C(=O)/C(=C\c1ccc(Br)cc1)C[C@]2(C)[C@H]3CC[C@@]45C

Download SDF Download SVG Structure in 2D SDF:

FYI-1007329
FYIcenter.com

 42 46  0  0  1  0  0  0  0  0999 V2000
    1.9124    0.1876    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5535    1.5306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4903    2.5710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7903    3.7835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1827    3.9297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2229    5.1149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5924    5.4060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0250    6.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0882    7.7778    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5208    9.1093    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8523    8.6767    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5612   10.0461    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5840   10.1497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0166   11.4812    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2146    9.8586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7820    8.5272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7188    7.4867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3493    7.1957    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2861    6.1553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5124    2.6124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9167    5.8642    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4841    4.5327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4209    3.4923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0894    3.0597    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2779   10.8991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7105   12.2306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7737   13.2710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2064   14.6025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5757   14.8935    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0083   16.2250    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    9.5125   13.8531    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0798   12.5216    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 42  1  0  0  0  0
  2  3  1  1  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  5  6  1  6  0  0  0
  7  5  1  0  0  0  0
  8  7  2  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  6  0  0  0
 11 42  1  0  0  0  0
 12 10  1  0  0  0  0
 13 12  1  0  0  0  0
 14 12  1  0  0  0  0
 15 12  1  0  0  0  0
 16 15  2  0  0  0  0
 17 15  1  0  0  0  0
 18 17  1  0  0  0  0
 19 18  1  0  0  0  0
 19 10  1  0  0  0  0
 19 20  1  6  0  0  0
 21 19  1  0  0  0  0
 21  7  1  0  0  0  0
 22 42  1  0  0  0  0
 21 23  1  6  0  0  0
 24 23  1  0  0  0  0
 25 24  1  0  0  0  0
 25  2  1  0  0  0  0
 25  5  1  0  0  0  0
 25 26  1  1  0  0  0
 27 17  2  0  0  0  0
 28 27  1  0  0  0  0
 29 28  2  0  0  0  0
 30 29  1  0  0  0  0
 31 30  2  0  0  0  0
 32 31  1  0  0  0  0
 33 31  1  0  0  0  0
 34 33  2  0  0  0  0
 34 28  1  0  0  0  0
 35  2  1  0  0  0  0
 35 36  1  1  0  0  0
 37 35  1  0  0  0  0
 38 37  1  0  0  0  0
 38 39  1  1  0  0  0
 40 38  1  0  0  0  0
 40 41  1  1  0  0  0
 42 40  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007329-3D
FYIcenter.com

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