Molecule FYI-1011464

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A

Molecule Summary:

ID: FYI-1011464
Names:
InChIKey: HZRFVTRTTXBHSE-UHFFFAOYSA-N
SMILES: CC1CCC2C(C)(C)C4CC12CC3OC34C

Received at FYIcenter.com on: 2024-08-09

Molecule ID: FYI-1011464 Edit

Molecule Structure InChIKey: HZRFVTRTTXBHSE-UHFFFAOYSA-N

Molecule Structure SMILES String: CC1CCC2C(C)(C)C4CC12CC3OC34C

Download SDF Download SVG Structure in 2D SDF:

FYI-1011464
FYIcenter.com

 16 19  0  0  0  0  0  0  0  0999 V2000
    5.5906    5.2005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2075    3.9084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2089    3.0066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6608    1.7754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3205    1.9163    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8625    3.6962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1886    2.5291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8409    2.5291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1533    1.2424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3382    0.1693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6753    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1671    3.6962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8409    4.8633    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1886    4.8633    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4933    4.8633    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.0223    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  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  6  2  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
  9  5  1  0  0  0  0
 10  9  1  0  0  0  0
 11  9  1  0  0  0  0
 12  8  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  1  0  0  0  0
 14  6  1  0  0  0  0
 15 13  1  0  0  0  0
 15 12  1  0  0  0  0
 16 12  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1011464-3D
FYIcenter.com

 40 43  0  0  1  0  0  0  0  0999 V2000
    0.9933   -0.0422    0.3863 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4132    0.1160   -0.1577 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.5697   -0.7517   -1.4228 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4117    0.0201   -2.4169 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2869    1.4817   -2.0582 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.3278    2.4741   -2.7575 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9239    1.8719   -3.0498 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8164    3.0152   -4.1053 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2735    3.5707   -1.6132 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.8061    2.6809   -0.4497 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8618    1.5464   -0.5434 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.0707    2.0601    0.2826 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5442    3.3970   -0.2374 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.7762    4.5500    0.1326 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6697    4.1559   -1.2452 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.3873    5.0538   -2.1986 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8306   -1.0738    0.7214 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2289    0.1586   -0.3757 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8049    0.6217    1.2373 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0968   -0.2680    0.6095 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6045   -0.9955   -1.8764 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0500   -1.7034   -1.1693 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1592   -0.1972   -3.4574 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4598   -0.2803   -2.2757 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3005    1.8770   -2.2085 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8993    1.3253   -3.9993 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1665    2.6633   -3.1047 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5880    1.1527   -2.3005 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6512    2.2918   -4.9140 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8846    3.2344   -4.1181 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2719    3.9289   -4.3725 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5695    4.3709   -1.8405 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7764    2.3552   -0.6005 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8069    3.1949    0.5132 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8970    1.3421    0.2151 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8079    2.1468    1.3423 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6193    3.5015   -0.2548 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0832    5.7238   -1.6781 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6998    5.6623   -2.7850 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0109    4.4616   -2.8847 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 17  1  0  0  0  0
  1 18  1  0  0  0  0
  1 19  1  0  0  0  0
  2  3  1  0  0  0  0
  2 11  1  0  0  0  0
  2 20  1  0  0  0  0
  3  4  1  0  0  0  0
  3 21  1  0  0  0  0
  3 22  1  0  0  0  0
  4  5  1  0  0  0  0
  4 23  1  0  0  0  0
  4 24  1  0  0  0  0
  5  6  1  0  0  0  0
  5 11  1  0  0  0  0
  5 25  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6  9  1  0  0  0  0
  7 26  1  0  0  0  0
  7 27  1  0  0  0  0
  7 28  1  0  0  0  0
  8 29  1  0  0  0  0
  8 30  1  0  0  0  0
  8 31  1  0  0  0  0
  9 10  1  0  0  0  0
  9 15  1  0  0  0  0
  9 32  1  0  0  0  0
 10 11  1  0  0  0  0
 10 33  1  0  0  0  0
 10 34  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 35  1  0  0  0  0
 12 36  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 13 37  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 38  1  0  0  0  0
 16 39  1  0  0  0  0
 16 40  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2024-08-14, 737👍, 0💬