Molecule FYI-1009581

A

Molecule Summary:

ID: FYI-1009581
Names:
InChIKey: VSAQSLOWFUCUJI-UHFFFAOYSA-N
SMILES: CC16CC(OC(=O)C1CO)C(C5CCC4C3CC=C2CC=CC(=O)C2(C)C3CCC45C)CO6

Received at FYIcenter.com on: 2024-05-16

Molecule ID: FYI-1009581 Edit

Molecule Structure InChIKey: VSAQSLOWFUCUJI-UHFFFAOYSA-N

Molecule Structure SMILES String: CC16CC(OC(=O)C1CO)C(C5CCC4C3CC=C2CC=CC(=O)C2(C)C3CCC45C)CO6

Download SDF Download SVG Structure in 2D SDF:

FYI-1009581
FYIcenter.com

 33 38  0  0  0  0  0  0  0  0999 V2000
    6.3816    6.9677    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6902    6.5425    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7695    5.5201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1946    4.2115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5405    3.9255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4611    4.9480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0359    6.2564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7239    7.4481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8033    8.4705    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5463    7.9109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3548    8.5988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3548    9.9747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1633   10.6626    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9718    9.9747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9718    8.5988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1633    7.9109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5746    6.9936    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3831    7.6815    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1915    6.9936    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3831    9.0574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1915    9.7453    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    9.0574    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2839   11.1662    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8069    4.6619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2321    3.3534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3115    2.3310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9656    2.6170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0450    1.5945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6992    1.8805    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4702    0.2860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8159    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7366    1.0224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6199    2.9031    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
  7  2  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 10  2  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  1  0  0  0  0
 16 15  1  0  0  0  0
 16 11  1  0  0  0  0
 17 16  1  0  0  0  0
 18 17  1  0  0  0  0
 19 18  2  0  0  0  0
 20 18  1  0  0  0  0
 20 14  1  0  0  0  0
 21 20  1  0  0  0  0
 22 21  1  0  0  0  0
 23 14  1  0  0  0  0
 24  6  1  0  0  0  0
 25 24  1  0  0  0  0
 26 25  2  0  0  0  0
 27 26  1  0  0  0  0
 27  5  1  0  0  0  0
 28 27  1  0  0  0  0
 29 28  2  0  0  0  0
 30 28  1  0  0  0  0
 31 30  2  0  0  0  0
 32 31  1  0  0  0  0
 32 26  1  0  0  0  0
 33 27  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1009581-3D
FYIcenter.com

 71 76  0  0  1  0  0  0  0  0999 V2000
    2.0947   -3.6434   -1.3687 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7789   -2.2948   -1.0914 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.3964   -1.8540    0.2976 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2053   -0.6060    0.5482 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.1372    0.3796   -0.4868 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3415    0.1729   -1.5477 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8017    1.1126   -2.1193 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2594   -1.2330   -2.0843 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.9680   -1.1947   -3.4350 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2208   -0.3994   -4.3625 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6826   -0.9658    0.7666 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.8823   -1.4336    2.2351 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.3364   -0.3396    3.2084 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5676    0.1615    3.8740 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2557   -1.1650    4.1917 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.5419   -0.9314    4.9168 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.4379   -2.1386    5.2891 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3489   -1.6552    6.3799 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4878   -0.3175    6.5468 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0683    0.1223    7.9428 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3388    1.4180    8.0167 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1944    2.2846    7.0159 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8041    2.0410    5.6985 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7390    2.9656    4.8808 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3900    0.6491    5.3172 C   0  0  3  0  0  0  0  0  0  0  0  0
   10.7991    0.9751    4.8099 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4264    0.0645    4.1829 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.8246   -0.6196    2.8396 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6222   -1.3530    2.0639 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3280   -1.8452    2.8294 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.3220   -3.3811    3.0669 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1366   -1.9820   -0.2999 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1836   -2.5200   -1.2265 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0168   -3.5965   -1.1733 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5190   -4.4319   -0.7354 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2421   -3.9617   -2.4051 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6057   -2.6258    1.0459 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3241   -1.6319    0.3613 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7423   -0.1108    1.3975 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1814   -1.3967   -2.2315 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0503   -2.1962   -3.8657 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9736   -0.7668   -3.3605 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0344    0.4795   -3.9523 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2912   -0.0613    0.6340 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2145   -2.2924    2.3725 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6593   -0.7860    3.9458 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8382    0.5213    2.7641 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0965    0.7683    3.1249 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3776    0.7916    4.7449 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6032   -1.7367    4.8677 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1808   -0.4754    5.8502 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0358   -2.5598    4.4745 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8298   -2.9522    5.6914 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3920   -2.3291    7.2355 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9062    0.1046    8.6410 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3291   -0.6094    8.3186 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8734    1.6535    8.9725 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6481    3.2143    7.1341 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.3923    1.4467    5.6045 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7669    1.6955    3.9796 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.3319    0.0887    4.4638 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8640    0.9315    3.8378 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6482   -1.3307    2.9708 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2321    0.1379    2.1555 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0582   -2.2097    1.5289 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3169   -0.6653    1.2701 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9525   -3.6849    3.9033 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6406   -3.9461    2.1895 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3190   -3.7402    3.3389 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6516   -2.8332    0.1574 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8940   -1.4977   -0.9286 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 34  1  0  0  0  0
  1 35  1  0  0  0  0
  1 36  1  0  0  0  0
  2  3  1  0  0  0  0
  2  8  1  0  0  0  0
  2 33  1  0  0  0  0
  3  4  1  0  0  0  0
  3 37  1  0  0  0  0
  3 38  1  0  0  0  0
  4  5  1  0  0  0  0
  4 11  1  0  0  0  0
  4 39  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 40  1  0  0  0  0
  9 10  1  0  0  0  0
  9 41  1  0  0  0  0
  9 42  1  0  0  0  0
 10 43  1  0  0  0  0
 11 12  1  0  0  0  0
 11 32  1  0  0  0  0
 11 44  1  0  0  0  0
 12 13  1  0  0  0  0
 12 30  1  0  0  0  0
 12 45  1  0  0  0  0
 13 14  1  0  0  0  0
 13 46  1  0  0  0  0
 13 47  1  0  0  0  0
 14 15  1  0  0  0  0
 14 48  1  0  0  0  0
 14 49  1  0  0  0  0
 15 16  1  0  0  0  0
 15 30  1  0  0  0  0
 15 50  1  0  0  0  0
 16 17  1  0  0  0  0
 16 27  1  0  0  0  0
 16 51  1  0  0  0  0
 17 18  1  0  0  0  0
 17 52  1  0  0  0  0
 17 53  1  0  0  0  0
 18 19  2  0  0  0  0
 18 54  1  0  0  0  0
 19 20  1  0  0  0  0
 19 25  1  0  0  0  0
 20 21  1  0  0  0  0
 20 55  1  0  0  0  0
 20 56  1  0  0  0  0
 21 22  2  0  0  0  0
 21 57  1  0  0  0  0
 22 23  1  0  0  0  0
 22 58  1  0  0  0  0
 23 24  2  0  0  0  0
 23 25  1  0  0  0  0
 25 26  1  0  0  0  0
 25 27  1  0  0  0  0
 26 59  1  0  0  0  0
 26 60  1  0  0  0  0
 26 61  1  0  0  0  0
 27 28  1  0  0  0  0
 27 62  1  0  0  0  0
 28 29  1  0  0  0  0
 28 63  1  0  0  0  0
 28 64  1  0  0  0  0
 29 30  1  0  0  0  0
 29 65  1  0  0  0  0
 29 66  1  0  0  0  0
 30 31  1  0  0  0  0
 31 67  1  0  0  0  0
 31 68  1  0  0  0  0
 31 69  1  0  0  0  0
 32 33  1  0  0  0  0
 32 70  1  0  0  0  0
 32 71  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2024-05-16, 161👍, 0💬