
 CHEMBL151310

 65 67  0  0  0  0  0  0  0  0999 V2000
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    1.5132   -0.8630    2.0001 H   0  0  0  0  0
    3.5498   -2.0570    1.0067 H   0  0  0  0  0
    1.9827   -2.4680    0.3462 H   0  0  0  0  0
    4.2415   -1.7104   -1.0679 H   0  0  0  0  0
    3.9067    0.5702    0.0325 H   0  0  0  0  0
    1.9764    2.9284    0.2240 H   0  0  0  0  0
    2.8250    3.1838   -1.2542 H   0  0  0  0  0
    0.4190    4.2444   -0.9602 H   0  0  0  0  0
    0.9261    3.6615   -2.5113 H   0  0  0  0  0
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   -1.9492   -1.2393   -4.2462 H   0  0  0  0  0
   -0.5327   -0.2621   -4.5795 H   0  0  0  0  0
    1.6783   -1.2557   -3.8826 H   0  0  0  0  0
   -1.3624   -3.4968   -3.1202 H   0  0  0  0  0
   -1.8724   -2.4898   -1.7515 H   0  0  0  0  0
   -0.3560   -3.3997   -1.6679 H   0  0  0  0  0
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    7.9227    0.1698    1.6848 H   0  0  0  0  0
    9.3041   -0.6336    0.8991 H   0  0  0  0  0
    7.9529   -1.6013    1.5558 H   0  0  0  0  0
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    7.3965   -2.6415   -0.7711 H   0  0  0  0  0
    8.9431   -1.8609   -1.2132 H   0  0  0  0  0
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  1 30  1  0  0  0
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  3  4  1  0  0  0
  3 33  1  0  0  0
  3 34  1  0  0  0
  4  5  1  0  0  0
  4 35  1  0  0  0
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  5 16  1  0  0  0
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  6 22  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL151310

>  <PubChem CID>
10500673

>  <Formula>
C23H37NO4

>  <Molecular Weight>
391.552000

>  <IUPAC Name>


>  <XlogP>
4.2

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CC1CCC2C(C1(CCC(=CCCC3(C(C2=O)O3)C)C)C)COC(=O)N(C)C

>  <Isomeric SMILES>
C[C@@H]1CC[C@@H]2[C@@H]([C@]1(CC/C(=C/CC[C@@]3([C@@H](C2=O)O3)C)/C)C)COC(=O)N(C)C

>  <InChI Std. ID>
InChI=1S/C23H37NO4/c1-15-8-7-12-23(4)20(28-23)19(25)17-10-9-16(2)22(3,13-11-15)18(17)14-27-21(26)24(5)6/h8,16-18,20H,7,9-14H2,1-6H3/b15-8+/t16-,17-,18+,20-,22+,23-/m1/s1

>  <InChI Key>
AAHCRDONHPHFSA-WAAYAITMSA-N

