Molecule FYI-1005315

A

Molecule Summary:

ID: FYI-1005315
Names:
InChIKey: BDIZUCSTKILSLM-HDFDHANDSA-N
SMILES: CC4=C3C[C@H]2[C@@H](C=C[C@@H]1COCC[C@@]12C)[C@@H]3CC[C@@]6(C4)O[C@@H]5C[C@H](C)CN[C@H]5[C@H]6C

Received at FYIcenter.com on: 2023-10-24

Molecule ID: FYI-1005315 Edit

Molecule Structure InChIKey: BDIZUCSTKILSLM-HDFDHANDSA-N

Molecule Structure SMILES String: CC4=C3C[C@H]2[C@@H](C=C[C@@H]1COCC[C@@]12C)[C@@H]3CC[C@@]6(C4)O[C@@H]5C[C@H](C)CN[C@H]5[C@H]6C

Download SDF Download SVG Structure in 2D SDF:

FYI-1005315
FYIcenter.com

 30 35  0  0  1  0  0  0  0  0999 V2000
   13.1286    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3057    1.1326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9134    0.9863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0905    2.1189    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6600    3.3979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6195    4.3347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4071    3.6347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6982    2.2652    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3653    5.0340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2450    5.8738    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8901    5.5216    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    6.4583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    7.8583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6372    8.5583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    7.8583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    8.5583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.8583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.4583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    5.7583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    6.4583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6372    5.7583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9283    4.3890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3207    4.2426    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9655    2.9999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3392    2.7294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1258    1.8798    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    5.0583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7658    5.7270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0523    3.5442    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.8752    2.4116    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  2  0  0  0  0
 15 14  1  1  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
 25 24  1  0  0  0  0
 25  7  1  0  0  0  0
 26 24  1  0  0  0  0
 20 27  1  6  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-1005315-3D
FYIcenter.com

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2023-11-02, 1245👍, 0💬