Molecule Editor

Molecule ID: FYI-1003544 Edit

Molecule Names: BISABOLOLOXIDE B;

Molecule Structure InChIKey: RKBAYVATPNYHLW-UHFFFAOYSA-N

Molecule Structure SMILES String: CC1=CCC(CC1)C2(CCC(O2)C(C)(C)O)C

Download SDF Download SVG Structure in 2D SDF:

FYI-1003544
FYIcenter.com

 43 44  0     1  0  0  0  0  0999 V2000
    3.9511    0.8944    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1622    2.4635    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9511    0.8944    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.9511   -0.1056    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.6420    1.8455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2601    1.8455    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.4511    2.4333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0850   -0.6056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8171   -0.6056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2111    2.1545    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.5854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0850   -1.6056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.5711   -3.1056    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
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  3  4  1  0  0  0  0
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 17 43  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1003544-3D
FYIcenter.com

 43 44  0     1  0  0  0  0  0999 V2000
    1.0901   -0.1635   -0.6396 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7857    0.5451   -0.8541 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1437    0.8570   -0.2605 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.2674    0.3213   -0.4838 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.4119    1.1651    1.2134 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9986   -0.3846    0.4519 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.8761    0.8251    1.3603 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4751   -1.0109    0.2434 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3183    1.3456   -0.0266 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4010   -0.5988   -0.0835 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3956    2.0744   -1.1536 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8735   -1.5765   -0.0249 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7039    0.7750    0.0558 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9694   -0.5425    0.0425 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4677   -1.8304   -0.9925 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4105   -0.7319    1.0602 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3730   -1.0694    0.0917 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.1504    0.5466    1.9157 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2085    2.2080    1.4791 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6504   -1.2794    0.9843 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.3460    2.1797   -0.7373 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.2047    2.9413   -0.8625 H   0  0  0  0  0  0  0  0  0  0  0  0
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    0.1845    1.8391   -2.2030 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.8933   -2.0360   -1.0211 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.1424   -1.5473    1.7400 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -5.5153   -1.6893    0.9828 H   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$