Molecule FYI-1005491

A

Molecule Summary:

ID: FYI-1005491
Names:
InChIKey: LRNILEDKLUPQPV-ZPURMBCBSA-N
SMILES: CC4=C3C[C@H]2[C@@H](CC=C1CC(Cl)CC[C@@]12C)[C@@H]3CC[C@]46O[C@@H]5C[C@H](C)CN[C@H]5[C@H]6C

Received at FYIcenter.com on: 2023-10-31

Molecule ID: FYI-1005491 Edit

Molecule Structure InChIKey: LRNILEDKLUPQPV-ZPURMBCBSA-N

Molecule Structure SMILES String: CC4=C3C[C@H]2[C@@H](CC=C1CC(Cl)CC[C@@]12C)[C@@H]3CC[C@]46O[C@@H]5C[C@H](C)CN[C@H]5[C@H]6C

Download SDF Download SVG Structure in 2D SDF:

FYI-1005491
FYIcenter.com

 30 35  0  0  1  0  0  0  0  0999 V2000
    2.6566   14.3581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2240   13.0265    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1608   11.9862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7282   10.6547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3588   10.3636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    8.9713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4914    8.4019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4282    9.4423    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4510    7.4651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7420    6.0957    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0736    5.6631    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6429    4.3841    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0736    3.1052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8965    1.9726    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2888    2.1189    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1117    0.9863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5040    1.1326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0734    2.4115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2506    3.5442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8581    3.3978    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0354    4.5305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3264    5.8999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1139    6.5999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8228    7.9692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8633    8.9061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4277    4.6768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3269    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    8.2713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4220   11.4041    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8546   12.7355    0.0000 C   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  8  1  6  0  0  0
  4  8  1  1  0  0  0
  9  7  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  6  0  0  0
 12 11  1  0  0  0  0
 12 13  1  1  0  0  0
 14 13  1  0  0  0  0
 15 14  2  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
 19 18  1  0  0  0  0
 20 19  1  0  0  0  0
 20 15  1  0  0  0  0
 21 20  1  0  0  0  0
 21 12  1  0  0  0  0
 21 22  1  6  0  0  0
 23 22  1  0  0  0  0
 23 11  1  0  0  0  0
 24 23  2  0  0  0  0
 24  7  1  0  0  0  0
 25 24  1  0  0  0  0
 20 26  1  6  0  0  0
 17 27  1  0  0  0  0
  6 28  1  6  0  0  0
  5 29  1  6  0  0  0
 30 29  1  0  0  0  0
 30  2  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1005491-3D
FYIcenter.com

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2023-11-06, 1347👍, 0💬