Molecule FYI-1015362

A

Molecule Summary:

ID: FYI-1015362
Names:
InChIKey: XFDNYCMGHVUNDX-VZCPBZATSA-N
SMILES: C=[c+]2ccc(C)c1C(=O)[C@H](O[Ac])[C@@H](C(C)(C)O[Ac])Cc12

Received at FYIcenter.com on: 2025-08-15

Molecule ID: FYI-1015362 Edit

Molecule Structure InChIKey: XFDNYCMGHVUNDX-VZCPBZATSA-N

Molecule Structure SMILES String: C=[c+]2ccc(C)c1C(=O)[C@H](O[Ac])[C@@H](C(C)(C)O[Ac])Cc12

Download SDF Download SVG Structure in 2D SDF:

FYI-1015362
FYIcenter.com

 20 21  0  0  1  0  0  0  0  0999 V2000
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    6.3000    0.0000 C   0  3  0  0  0  0  0  0  0  0  0  0
    6.0622    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.0000    0.0000 Ac  0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7249    0.8876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1249    0.8876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 Ac  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  2  0  0  0  0
  6  4  1  0  0  0  0
  7  6  2  0  0  0  0
  7  1  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  2  0  0  0  0
 10  9  1  0  0  0  0
 11 10  2  0  0  0  0
 11  6  1  0  0  0  0
 12 11  1  0  0  0  0
 13  8  2  0  0  0  0
  3 14  1  6  0  0  0
 15 14  1  0  0  0  0
  2 16  1  1  0  0  0
 17 16  1  0  0  0  0
 18 16  1  0  0  0  0
 19 16  1  0  0  0  0
 20 19  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1015362-3D
FYIcenter.com

 37 38  0  0  1  0  0  0  0  0999 V2000
    0.9127   -0.1000   -0.0027 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2578   -0.0977    0.0478 C   0  3  0  0  0  0  0  0  0  0  0  0
    2.9343   -1.4406    0.0555 C   0  0  0  0  0  3  0  0  0  0  0  0
    4.4279   -1.3777    0.1133 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1292   -0.2281    0.1368 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6392   -0.3267    0.1579 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4255    1.1071    0.1165 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2002    2.3862    0.0983 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3837    2.4115    0.4004 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5141    3.6710   -0.2845 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.3622    4.7457   -0.0005 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7271    4.6326    2.4298 Ac  0  0  0  0  0  0  0  0  0  0  0  0
    3.1795    3.7609    0.4744 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.3497    5.0928    0.2717 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0753    6.3382    0.8214 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0039    5.3638   -1.2082 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1434    4.9759    0.9772 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7677    4.6446    3.3312 Ac  0  0  0  0  0  0  0  0  0  0  0  0
    2.3238    2.5117    0.1073 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0629    1.1705    0.0961 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3632   -1.0371   -0.0340 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3218    0.8072   -0.0186 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6465   -2.0019   -0.8599 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9456   -2.3325    0.1237 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9990   -1.3778    0.1387 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0396    0.1393    1.0813 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0560    0.1822   -0.7372 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3057    3.6499   -1.3745 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4217    3.6811    1.5576 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9801    6.5966    0.2392 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3527    6.1957    1.8857 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4076    7.2251    0.7579 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9229    5.4882   -1.8181 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4076    6.2978   -1.2977 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3886    4.5573   -1.6497 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8700    2.5980   -0.8981 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5116    2.4747    0.8637 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1 21  1  0  0  0  0
  1 22  1  0  0  0  0
  2  3  1  0  0  0  0
  2 20  1  0  0  0  0
  3  4  1  0  0  0  0
  3 23  1  0  0  0  0
  4  5  2  0  0  0  0
  4 24  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  6 25  1  0  0  0  0
  6 26  1  0  0  0  0
  6 27  1  0  0  0  0
  7  8  1  0  0  0  0
  7 20  2  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 13  1  0  0  0  0
 10 28  1  6  0  0  0
 11 12  1  0  0  0  0
 13 14  1  0  0  0  0
 13 19  1  0  0  0  0
 13 29  1  1  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 14 17  1  0  0  0  0
 15 30  1  0  0  0  0
 15 31  1  0  0  0  0
 15 32  1  0  0  0  0
 16 33  1  0  0  0  0
 16 34  1  0  0  0  0
 16 35  1  0  0  0  0
 17 18  1  0  0  0  0
 19 20  1  0  0  0  0
 19 36  1  0  0  0  0
 19 37  1  0  0  0  0
M  END
$$$$

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2025-08-18, 986👍, 0💬