Molecule FYI-1004900

A

Molecule Summary:

ID: FYI-1004900
Names:
InChIKey: GFRFYFXXTAMFNI-LMOXRJJNSA-N
SMILES: CCC[C@@H]1CC[C@H]4[C@@]1(C)CC[C@@]5(C)[C@@H]3CC[C@H]2C(C)(C)[C@@H](OC)CC[C@]2(C)C3=CC[C@]45C

Received at FYIcenter.com on: 2023-09-27

Molecule ID: FYI-1004900 Edit

Molecule Structure InChIKey: GFRFYFXXTAMFNI-LMOXRJJNSA-N

Molecule Structure SMILES String: CCC[C@@H]1CC[C@H]4[C@@]1(C)CC[C@@]5(C)[C@@H]3CC[C@H]2C(C)(C)[C@@H](OC)CC[C@]2(C)C3=CC[C@]45C

Download SDF Download SVG Structure in 2D SDF:

FYI-1004900
FYIcenter.com

 32 36  0  0  1  0  0  0  0  0999 V2000
    8.6856   12.7442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4732   12.0442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2607   12.7442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0483   12.0442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7694   12.6136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8326   11.5732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5326   10.3608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9020   10.6519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8388    9.6115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4061    8.2800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0368    7.9889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1000    9.0294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7305    8.7382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2979    7.4068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2347    6.3664    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6041    6.6575    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5409    5.6170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1083    4.2855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7389    3.9945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8021    5.0349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4327    4.7438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.4123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9368    2.3719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3063    2.6630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5973    1.2936    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6377    2.2304    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5042    1.0404    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4410    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8653    6.0753    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1632   10.0697    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9735    6.9485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2335   11.0845    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
  4  3  1  1  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  1  0  0  0
  8  7  1  0  0  0  0
  8  4  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
 12 11  1  0  0  0  0
 12  7  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  2  0  0  0  0
 16 15  1  0  0  0  0
 16 11  1  0  0  0  0
 16 17  1  6  0  0  0
 18 17  1  0  0  0  0
 19 18  1  1  0  0  0
 20 19  1  0  0  0  0
 20 15  1  0  0  0  0
 21 20  1  0  0  0  0
 22 21  1  0  0  0  0
 23 22  1  0  0  0  0
 24 23  1  0  0  0  0
 24 19  1  0  0  0  0
 25 24  1  0  0  0  0
 26 24  1  0  0  0  0
 23 27  1  1  0  0  0
 28 27  1  0  0  0  0
 20 29  1  1  0  0  0
 12 30  1  1  0  0  0
 11 31  1  6  0  0  0
  8 32  1  1  0  0  0
M  END
$$$$

Molecule Structure in 3D: Not available

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2023-10-11, 1041👍, 0💬