Molecule FYI-1003828

A

Molecule Summary:

ID: FYI-1003828
Names:
InChIKey: LESZSAQXPRFCAF-UHFFFAOYSA-N
SMILES: C=C(C)C4CC=C(C)C(CCC2C(=C)CCC3C(C)(C)C(OC1OC(CO)C(O)C(O)C1O)CCC23C)C4(C)CCC(=O)O

Received at FYIcenter.com on: 2023-07-28

Molecule ID: FYI-1003828 Edit

Molecule Structure InChIKey: LESZSAQXPRFCAF-UHFFFAOYSA-N

Molecule Structure SMILES String: C=C(C)C4CC=C(C)C(CCC2C(=C)CCC3C(C)(C)C(OC1OC(CO)C(O)C(O)C1O)CCC23C)C4(C)CCC(=O)O

Download SDF Download SVG Structure in 2D SDF:

FYI-1003828
FYIcenter.com

 44 47  0  0  0  0  0  0  0  0999 V2000
    6.0622    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    3.5000    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
    8.4871    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9746   11.7124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5746   11.7124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497   10.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    8.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   10.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249   11.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5493    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  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
 11 10  1  0  0  0  0
 12 11  2  0  0  0  0
 13 11  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 10  1  0  0  0  0
 17 16  1  0  0  0  0
 18 17  1  0  0  0  0
 19 18  1  0  0  0  0
 20 19  1  0  0  0  0
 20 15  1  0  0  0  0
 21 20  1  0  0  0  0
 22 20  1  0  0  0  0
 23 19  1  0  0  0  0
 24 23  1  0  0  0  0
 25 24  1  0  0  0  0
 26 25  1  0  0  0  0
 27 26  1  0  0  0  0
 28 27  1  0  0  0  0
 29 28  1  0  0  0  0
 29 24  1  0  0  0  0
 30 28  1  0  0  0  0
 31 30  1  0  0  0  0
 32 27  1  0  0  0  0
 33 26  1  0  0  0  0
 34 25  1  0  0  0  0
 35 16  1  0  0  0  0
 36  6  1  0  0  0  0
 37  6  1  0  0  0  0
 38 37  1  0  0  0  0
 39 38  1  0  0  0  0
 40 39  2  0  0  0  0
 41 39  1  0  0  0  0
 42  5  1  0  0  0  0
 43 42  2  0  0  0  0
 44 42  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1003828-3D
FYIcenter.com

102105  0  0  1  0  0  0  0  0999 V2000
    1.6705    3.9674   -7.0208 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9524    2.7454   -7.5049 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6176    2.6331   -8.8654 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6253    1.4597   -6.6955 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.7504    0.5559   -7.5623 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8839   -0.8973   -7.3713 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8113   -1.5559   -6.6659 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7996   -3.0572   -6.7500 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8773   -0.8389   -5.8451 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.0078   -1.5257   -4.4469 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7424   -2.8816   -4.2802 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0939   -3.1425   -5.0037 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.5478   -4.6180   -4.8458 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1493   -5.5179   -3.9346 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6631   -5.0068   -5.7768 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8445   -4.1559   -5.3674 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4980   -2.6654   -5.6382 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.7678   -1.7807   -5.8254 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6741   -1.9073   -4.5819 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3764   -2.3784   -7.1267 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5479   -0.2163   -5.9377 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.5557    0.3715   -7.2611 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8789    0.4464   -7.8475 C   0  0  3  0  0  0  0  0  0  0  0  0
   10.8224    1.2097   -7.1063 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9096    2.5892   -7.4438 C   0  0  3  0  0  0  0  0  0  0  0  0
   12.0039    3.1858   -6.5534 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1334    4.5843   -6.7554 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2426    2.7177   -8.9333 C   0  0  3  0  0  0  0  0  0  0  0  0
   12.4353    1.9750   -9.2643 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0679    2.1569   -9.7409 C   0  0  3  0  0  0  0  0  0  0  0  0
   10.3648    2.2777  -11.1405 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8204    0.6951   -9.3756 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.5939    0.2100   -9.9402 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3068    0.2347   -5.1609 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1302   -0.7471   -5.1804 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3560   -2.1824   -4.7045 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.6716   -2.1933   -3.1890 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8405    0.8185   -5.8373 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.1632    1.3477   -6.4501 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7453    1.4857   -4.3774 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9623    1.5358   -3.4150 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6421    2.1789   -2.0910 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8238    3.0618   -1.9285 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3973    1.6937   -1.0668 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9089    4.8683   -7.5775 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2026    4.1039   -6.0503 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1048    3.5703   -9.1547 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8864    2.3885   -9.6406 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3927    1.8632   -8.8930 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9149    1.7863   -5.9173 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9020    0.7329   -8.6306 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3038    0.8214   -7.3772 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1464   -1.4766   -7.9566 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1506   -3.4266   -7.5507 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4239   -3.4950   -5.8230 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8009   -3.4304   -6.9701 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7787   -1.0905   -6.4037 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0063   -1.6257   -4.0059 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5304   -0.8964   -3.7563 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0514   -3.6849   -4.5594 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8741   -3.0363   -3.2006 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8661   -3.0347   -6.0738 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4061   -5.3140   -3.1732 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6096   -6.5059   -3.8998 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3775   -4.8242   -6.8211 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9349   -6.0658   -5.7085 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7271   -4.5128   -5.9000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0879   -4.3228   -4.3130 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0321   -2.6430   -6.6406 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8056   -2.9289   -4.2288 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2563   -1.3338   -3.7438 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6641   -1.4824   -4.7766 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1072   -3.4106   -7.3505 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9417   -1.8894   -8.0082 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4655   -2.3519   -7.1280 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3648    0.3030   -5.4212 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3400   -0.5232   -7.7918 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9559    3.0828   -7.2257 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.9730    2.6985   -6.7157 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7525    3.0124   -5.5009 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.8694    4.7203   -7.3789 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.4320    3.7538   -9.2257 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.5126    1.2277   -8.6395 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1604    2.7441   -9.5620 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2667    1.9243  -11.2656 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6125    0.0962   -9.8477 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8899    0.4305   -9.3003 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9866    1.2040   -5.5623 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5751    0.4384   -4.1175 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7760   -0.7819   -6.2138 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3589   -0.3287   -4.5556 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7559   -2.2230   -2.5885 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1988   -1.2963   -2.8593 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2705   -3.0542   -2.8843 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4264    0.8332   -7.3784 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9839    1.2326   -5.7678 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1718    2.4276   -6.6193 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8871    1.0485   -3.8532 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4885    2.5433   -4.5272 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7966    2.0964   -3.8417 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3288    0.5522   -3.1535 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0251    0.9891   -1.3116 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1 45  1  0  0  0  0
  1 46  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  3 47  1  0  0  0  0
  3 48  1  0  0  0  0
  3 49  1  0  0  0  0
  4  5  1  0  0  0  0
  4 38  1  0  0  0  0
  4 50  1  0  0  0  0
  5  6  1  0  0  0  0
  5 51  1  0  0  0  0
  5 52  1  0  0  0  0
  6  7  2  0  0  0  0
  6 53  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  8 54  1  0  0  0  0
  8 55  1  0  0  0  0
  8 56  1  0  0  0  0
  9 10  1  0  0  0  0
  9 38  1  0  0  0  0
  9 57  1  0  0  0  0
 10 11  1  0  0  0  0
 10 58  1  0  0  0  0
 10 59  1  0  0  0  0
 11 12  1  0  0  0  0
 11 60  1  0  0  0  0
 11 61  1  0  0  0  0
 12 13  1  0  0  0  0
 12 36  1  0  0  0  0
 12 62  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 14 63  1  0  0  0  0
 14 64  1  0  0  0  0
 15 16  1  0  0  0  0
 15 65  1  0  0  0  0
 15 66  1  0  0  0  0
 16 17  1  0  0  0  0
 16 67  1  0  0  0  0
 16 68  1  0  0  0  0
 17 18  1  0  0  0  0
 17 36  1  0  0  0  0
 17 69  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
 18 21  1  0  0  0  0
 19 70  1  0  0  0  0
 19 71  1  0  0  0  0
 19 72  1  0  0  0  0
 20 73  1  0  0  0  0
 20 74  1  0  0  0  0
 20 75  1  0  0  0  0
 21 22  1  0  0  0  0
 21 34  1  0  0  0  0
 21 76  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 32  1  0  0  0  0
 23 77  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 25 28  1  0  0  0  0
 25 78  1  0  0  0  0
 26 27  1  0  0  0  0
 26 79  1  0  0  0  0
 26 80  1  0  0  0  0
 27 81  1  0  0  0  0
 28 29  1  0  0  0  0
 28 30  1  0  0  0  0
 28 82  1  0  0  0  0
 29 83  1  0  0  0  0
 30 31  1  0  0  0  0
 30 32  1  0  0  0  0
 30 84  1  0  0  0  0
 31 85  1  0  0  0  0
 32 33  1  0  0  0  0
 32 86  1  0  0  0  0
 33 87  1  0  0  0  0
 34 35  1  0  0  0  0
 34 88  1  0  0  0  0
 34 89  1  0  0  0  0
 35 36  1  0  0  0  0
 35 90  1  0  0  0  0
 35 91  1  0  0  0  0
 36 37  1  0  0  0  0
 37 92  1  0  0  0  0
 37 93  1  0  0  0  0
 37 94  1  0  0  0  0
 38 39  1  0  0  0  0
 38 40  1  0  0  0  0
 39 95  1  0  0  0  0
 39 96  1  0  0  0  0
 39 97  1  0  0  0  0
 40 41  1  0  0  0  0
 40 98  1  0  0  0  0
 40 99  1  0  0  0  0
 41 42  1  0  0  0  0
 41100  1  0  0  0  0
 41101  1  0  0  0  0
 42 43  2  0  0  0  0
 42 44  1  0  0  0  0
 44102  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-08-09, 3248👍, 0💬