
 CHEMBL3262366

 82 89  0  0  0  0  0  0  0  0999 V2000
    6.8266    9.2808   -5.5480 C   0  0  0  0  0
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    0.9181    7.8436    3.2995 H   0  0  0  0  0
    1.6159    9.0859    4.2687 H   0  0  0  0  0
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    1.5254    9.7997   -0.5992 H   0  0  0  0  0
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    3.3210   11.1965   -0.0692 H   0  0  0  0  0
    5.4167   12.8286    4.2003 H   0  0  0  0  0
    4.0989   13.1778    2.1396 H   0  0  0  0  0
    6.1315   11.3440    5.7718 H   0  0  0  0  0
   -1.6865    9.8028    1.1036 H   0  0  0  0  0
   -0.8037    8.4788    0.3622 H   0  0  0  0  0
   -0.8316   11.3368   -0.7345 H   0  0  0  0  0
   -0.2805    8.5673   -2.0986 H   0  0  0  0  0
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   -2.6878    8.9610   -1.4859 H   0  0  0  0  0
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    6.4493    5.9932    2.2939 H   0  0  0  0  0
    6.2024    4.7338    3.5099 H   0  0  0  0  0
    3.0217    4.3177   -0.3558 H   0  0  0  0  0
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M  END

>  <Chemical Name>
CHEMBL3262366

>  <PubChem CID>
90306839

>  <Formula>
C34H43NO4

>  <Molecular Weight>
529.721000

>  <IUPAC Name>


>  <XlogP>
5.800

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CC(C)C1=CC=C(C=C1)C(C)(C2CC34CCC2(C5C36CCN(C4CC7=C6C(=C(C=C7)O)O5)CC8CC8)OC)O

>  <Isomeric SMILES>
CC(C)C1=CC=C(C=C1)[C@](C)([C@H]2C[C@@]34CC[C@@]2([C@H]5[C@@]36CCN([C@@H]4CC7=C6C(=C(C=C7)O)O5)CC8CC8)OC)O

>  <InChI Std. ID>
InChI=1S/C34H43NO4/c1-20(2)22-7-10-24(11-8-22)31(3,37)26-18-32-13-14-34(26,38-4)30-33(32)15-16-35(19-21-5-6-21)27(32)17-23-9-12-25(36)29(39-30)28(23)33/h7-12,20-21,26-27,30,36-37H,5-6,13-19H2,1-4H3/t26-,27-,30-,31-,32-,33+,34-/m1/s1

>  <InChI Key>
AIFURXDRYQAVTE-MOCVAACVSA-N

