Molecule FYI-1015019

A

Molecule Summary:

ID: FYI-1015019
Names:
InChIKey: BQNSBENKJCLJGN-ZOWXZIJZSA-N
SMILES: CC1(C)CCC[C@@]3(C)[C@H]1CC=C2COC(=O)[C@@H]23

Received at FYIcenter.com on: 2025-06-15

Molecule ID: FYI-1015019 Edit

Molecule Structure InChIKey: BQNSBENKJCLJGN-ZOWXZIJZSA-N

Molecule Structure SMILES String: CC1(C)CCC[C@@]3(C)[C@H]1CC=C2COC(=O)[C@@H]23

Download SDF Download SVG Structure in 2D SDF:

FYI-1015019
FYIcenter.com

 17 19  0  0  1  0  0  0  0  0999 V2000
    1.8736    1.8012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3062    3.1327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9368    2.8416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.8821    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4326    5.2135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8021    5.5046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7388    4.4642    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1082    4.7553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0450    3.7148    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6124    2.3834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2429    2.0923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0966    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8842    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3756    0.1306    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3124    1.1710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8424    6.4414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5110    6.8740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  6  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
  7  2  1  0  0  0  0
  7  8  1  6  0  0  0
  9  8  1  0  0  0  0
 10  9  2  0  0  0  0
 11 10  1  6  0  0  0
 11  2  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  2  0  0  0  0
 14 12  1  0  0  0  0
 15 14  1  0  0  0  0
 15 10  1  0  0  0  0
 16  6  1  0  0  0  0
 17  6  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1015019-3D
FYIcenter.com

 39 41  0     1  0  0  0  0  0999 V2000
   -3.6133   -0.0263    0.0854 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6369   -2.0876    0.2407 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0437   -0.5319    0.1535 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.0610    0.5782   -0.3092 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.5742    0.2996    0.0331 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3199   -0.1845   -0.5193 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.4905   -1.9406   -0.3422 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8603   -1.2206    0.1270 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5848    2.0082    0.0746 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9517   -2.0370   -0.7757 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0916   -0.5671    1.6965 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7433    1.2304   -0.3265 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4443    0.8919   -1.1058 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0636    0.9580    1.3403 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8950    2.2287   -0.0575 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5564   -0.8936   -0.0101 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2177    1.2942   -0.3047 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0004    0.5517   -1.4107 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2733   -0.3738   -1.6010 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1211   -2.2738   -1.1903 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3109   -2.6845    0.4453 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7353   -1.5742    1.1581 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9070   -1.4281   -0.1292 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1055    2.7435   -0.5494 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8362    2.2357    1.1157 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2612   -3.0887   -0.7621 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0526   -1.7001   -1.8143 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8376   -1.3018    2.0178 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8443   -0.8583    2.1790 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3917    0.3977    2.1153 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5119    0.7339   -0.9132 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2137    0.4279   -2.0710 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2868    1.9710   -1.2087 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4427    0.6835    2.1969 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0904    0.6489    1.5709 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0741    2.0510    1.2674 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2748    3.2274    0.1367 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6034    2.0089    0.4277 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6377    1.5062   -1.2923 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 16  1  0  0  0  0
  1 17  1  0  0  0  0
  2 16  2  0  0  0  0
  3  4  1  0  0  0  0
  3  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3 11  1  0  0  0  0
  4  5  1  0  0  0  0
  4  9  1  0  0  0  0
  4 18  1  0  0  0  0
  5  8  1  0  0  0  0
  5 13  1  0  0  0  0
  5 14  1  0  0  0  0
  6 12  1  0  0  0  0
  6 16  1  0  0  0  0
  6 19  1  0  0  0  0
  7 10  1  0  0  0  0
  7 20  1  0  0  0  0
  7 21  1  0  0  0  0
  8 10  1  0  0  0  0
  8 22  1  0  0  0  0
  8 23  1  0  0  0  0
  9 15  1  0  0  0  0
  9 24  1  0  0  0  0
  9 25  1  0  0  0  0
 10 26  1  0  0  0  0
 10 27  1  0  0  0  0
 11 28  1  0  0  0  0
 11 29  1  0  0  0  0
 11 30  1  0  0  0  0
 12 15  2  0  0  0  0
 12 17  1  0  0  0  0
 13 31  1  0  0  0  0
 13 32  1  0  0  0  0
 13 33  1  0  0  0  0
 14 34  1  0  0  0  0
 14 35  1  0  0  0  0
 14 36  1  0  0  0  0
 15 37  1  0  0  0  0
 17 38  1  0  0  0  0
 17 39  1  0  0  0  0
M  END
$$$$

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2025-06-18, 804👍, 0💬