
 CHEMBL3959095

 87 93  0  0  0  0  0  0  0  0999 V2000
    1.0387    0.5404    2.2096 C   0  0  0  0  0
    2.1866    0.6828    1.3820 O   0  0  0  0  0
    2.9723    1.8077    1.7732 C   0  0  0  0  0
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    6.1397    3.2112    0.4737 C   0  0  0  0  0
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    8.0600    4.6627    0.1631 O   0  0  0  0  0
    8.7297    5.8595    0.5659 C   0  0  0  0  0
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   15.8737    9.1421    3.6637 N   0  0  0  0  0
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    0.4665   -0.3230    1.8601 H   0  0  0  0  0
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    3.2897    1.6995    2.8175 H   0  0  0  0  0
    2.3755    2.7251    1.7004 H   0  0  0  0  0
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    5.8690    3.3064   -0.5845 H   0  0  0  0  0
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    9.7203    6.1172   -1.3389 H   0  0  0  0  0
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   12.1636    8.1353    1.9606 H   0  0  0  0  0
   15.7740    7.6079    1.3074 H   0  0  0  0  0
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   15.7725    8.3957   -0.8249 H   0  0  0  0  0
   14.5333    7.2145   -1.0548 H   0  0  0  0  0
   13.1159   11.0223   -0.0380 H   0  0  0  0  0
   16.7791    9.3663    0.7474 H   0  0  0  0  0
   16.8692   11.0747    0.9676 H   0  0  0  0  0
   17.7915    9.6640    2.8487 H   0  0  0  0  0
   16.7707   10.9670    3.2943 H   0  0  0  0  0
   13.8728    8.4863    3.8963 H   0  0  0  0  0
   14.3338   10.8590    4.8836 H   0  0  0  0  0
   12.8029   10.5679    4.0576 H   0  0  0  0  0
   13.8902   15.2422    2.5272 H   0  0  0  0  0
   13.5588   13.5200    4.2776 H   0  0  0  0  0
   15.4029   15.6383   -1.6241 H   0  0  0  0  0
   14.6560   14.0500   -1.7992 H   0  0  0  0  0
   16.2313   14.2419   -0.9291 H   0  0  0  0  0
   16.1326    7.0924    3.1241 H   0  0  0  0  0
   15.6143    7.3931    4.7543 H   0  0  0  0  0
   18.4334    8.0337    3.8053 H   0  0  0  0  0
   17.2165    7.3754    6.6213 H   0  0  0  0  0
   18.9584    7.7608    6.2654 H   0  0  0  0  0
   19.0606    5.8224    4.6544 H   0  0  0  0  0
   17.3218    5.4343    5.0172 H   0  0  0  0  0
   15.4007    8.9498   -3.0098 H   0  0  0  0  0
   15.0594   10.6917   -2.7618 H   0  0  0  0  0
   14.2934    9.8068   -4.0874 H   0  0  0  0  0
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M  END

>  <Chemical Name>
CHEMBL3959095

>  <PubChem CID>
134154934

>  <Formula>
C32H47NO7

>  <Molecular Weight>
557.728000

>  <IUPAC Name>


>  <XlogP>
3.400

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
8

>  <Canonical SMILES>
COCCOCCOCCOCC1CC23CCC1(C4C25CCN(C3CC6=C5C(=C(C=C6)OC)O4)CC7CC7)OC

>  <Isomeric SMILES>
COCCOCCOCCOC[C@@H]1C[C@]23CC[C@]1([C@@H]4[C@]25CCN([C@H]3CC6=C5C(=C(C=C6)OC)O4)CC7CC7)OC

>  <InChI Std. ID>
InChI=1S/C32H47NO7/c1-34-12-13-37-14-15-38-16-17-39-21-24-19-30-8-9-32(24,36-3)29-31(30)10-11-33(20-22-4-5-22)26(30)18-23-6-7-25(35-2)28(40-29)27(23)31/h6-7,22,24,26,29H,4-5,8-21H2,1-3H3/t24-,26-,29-,30-,31+,32-/m0/s1

>  <InChI Key>
AJOMQFBUCVXNGB-KUUCXNLBSA-N

