Molecule FYI-1003354

A

Molecule Summary:

ID: FYI-1003354
Names:
InChIKey: VVBWBGOEAVGFTN-HNFCZRRCSA-N
SMILES: CC(C)(O)CCC(=O)C(C)(O)[C@H]3[C@H](O)C[C@@]4(C)C2CC=C1C(C[C@H](O)[C@@H](O)C1(C)C)[C@]2(C)C(=O)C[C@]34C

Received at FYIcenter.com on: 2023-06-05

Molecule ID: FYI-1003354 Edit

Molecule Structure InChIKey: VVBWBGOEAVGFTN-HNFCZRRCSA-N

Molecule Structure SMILES String: CC(C)(O)CCC(=O)C(C)(O)[C@H]3[C@H](O)C[C@@]4(C)C2CC=C1C(C[C@H](O)[C@@H](O)C1(C)C)[C@]2(C)C(=O)C[C@]34C

Download SDF Download SVG Structure in 2D SDF:

FYI-1003354
FYIcenter.com

 37 40  0  0  1  0  0  0  0  0999 V2000
    6.4901   11.2936    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7901   10.0812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0026    9.3812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2150   10.0812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4275    9.3812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6399   10.0812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9399   11.2936    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8523   10.7812    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.3399    8.8688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0026    7.9812    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0901   11.2936    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5777    9.3812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8724    4.5766    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2988    9.9507    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0077   11.3201    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3620    8.9103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0620    7.6978    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4314    7.9889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7629    8.4215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3682    6.9485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6696    7.5515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6294    6.3664    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2599    6.0753    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8273    4.7438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7641    3.7034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3315    2.3719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2911    1.4351    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2683    1.3315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8356    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6377    1.6225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5745    0.5821    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0703    2.9540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1335    3.9944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5662    5.3259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5030    4.2855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9356    5.6170    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
  7  6  1  0  0  0  0
  8  6  1  0  0  0  0
  9  6  1  0  0  0  0
 10  3  2  0  0  0  0
 11  2  1  0  0  0  0
 12  2  1  6  0  0  0
 13 37  2  0  0  0  0
 14 12  1  0  0  0  0
 14 15  1  1  0  0  0
 16 14  1  0  0  0  0
 17 16  1  0  0  0  0
 18 17  1  0  0  0  0
 18 12  1  0  0  0  0
 18 19  1  6  0  0  0
 20 18  1  0  0  0  0
 17 21  1  1  0  0  0
 22 17  1  0  0  0  0
 23 22  1  0  0  0  0
 24 23  1  0  0  0  0
 25 24  2  0  0  0  0
 26 25  1  0  0  0  0
 27 26  1  0  0  0  0
 28 26  1  0  0  0  0
 29 26  1  0  0  0  0
 29 30  1  1  0  0  0
 31 29  1  0  0  0  0
 31 32  1  6  0  0  0
 33 31  1  0  0  0  0
 34 33  1  0  0  0  0
 34 25  1  0  0  0  0
 35 34  1  0  0  0  0
 35 22  1  0  0  0  0
 35 36  1  6  0  0  0
 37 35  1  0  0  0  0
 37 20  1  0  0  0  0
M  END
$$$$

Molecule Structure in 3D: Not available

✍: FYIcenter.com

2023-07-01, 643👍, 0💬