Molecule FYI-1006830

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A

Molecule Summary:

ID: FYI-1006830
Names:
InChIKey: DTGKSKDOIYIVQL-XKSSXDPKSA-N
SMILES: CC1(C)[C@H]2CC[C@@]1(C)[C@H](O)C2

Received at FYIcenter.com on: 2024-01-20

Molecule ID: FYI-1006830 Edit

Molecule Structure InChIKey: DTGKSKDOIYIVQL-XKSSXDPKSA-N

Molecule Structure SMILES String: CC1(C)[C@H]2CC[C@@]1(C)[C@H](O)C2

Download SDF Download SVG Structure in 2D SDF:

FYI-1006830
FYIcenter.com

 11 12  0  0  1  0  0  0  0  0999 V2000
    3.6041    3.6522    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5038    3.0170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3433    3.5337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4931    2.5896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1283    1.4894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3711    1.7535    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5533    1.2883    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5533    0.3597    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0044    1.0492    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.5168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1606    0.0000    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  1  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  6  2  1  0  0  0  0
  6  7  1  1  0  0  0
  8  6  1  0  0  0  0
  9  8  1  0  0  0  0
  9  4  1  0  0  0  0
 10  5  1  0  0  0  0
 11  5  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1006830-3D
FYIcenter.com

 29 30  0  0  1  0  0  0  0  0999 V2000
    2.2584    2.8948    0.2116 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0036    3.8587    0.2637 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5854    4.9720    1.1644 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5306    3.6362   -1.1119 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.1379    2.1271   -0.4674 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7828    2.5106    0.9452 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8085    3.9004    0.5051 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.2076    3.5361   -0.5159 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8799    5.3406    0.1206 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.1380    5.9784   -0.0716 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1481    5.0748   -1.2596 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4920    2.4331    1.1628 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2908    2.1244   -0.5780 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1275    3.5131   -0.1027 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5553    4.7077    1.6084 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7363    5.9277    0.6547 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9548    5.0921    2.0582 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2177    3.4199   -1.9338 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5987    1.3505   -0.2289 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7869    1.6307   -1.1904 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1341    2.3600    1.8146 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7418    2.0314    1.1664 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3860    2.4940   -0.8017 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0945    3.7885    0.0753 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2860    4.0756   -1.4596 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3513    6.0541    0.7475 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6040    5.9523    0.7821 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6397    5.8310   -1.3922 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7822    5.1530   -2.1495 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 12  1  0  0  0  0
  1 13  1  0  0  0  0
  1 14  1  0  0  0  0
  2  4  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  1  0  0  0  0
  3 15  1  0  0  0  0
  3 16  1  0  0  0  0
  3 17  1  0  0  0  0
  4  5  1  0  0  0  0
  4 11  1  0  0  0  0
  4 18  1  6  0  0  0
  5  6  1  0  0  0  0
  5 19  1  0  0  0  0
  5 20  1  0  0  0  0
  6  7  1  0  0  0  0
  6 21  1  0  0  0  0
  6 22  1  0  0  0  0
  7  9  1  0  0  0  0
  7  8  1  6  0  0  0
  8 23  1  0  0  0  0
  8 24  1  0  0  0  0
  8 25  1  0  0  0  0
  9 11  1  0  0  0  0
  9 10  1  0  0  0  0
  9 26  1  1  0  0  0
 10 27  1  0  0  0  0
 11 28  1  0  0  0  0
 11 29  1  0  0  0  0
M  END
$$$$

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2024-02-18, 585👍, 0💬