
 CHEMBL3609143

 63 69  0  0  0  0  0  0  0  0999 V2000
    0.7197   -0.3029    1.6840 C   0  0  0  0  0
    2.0221    0.2178    1.2903 N   0  0  0  0  0
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    7.5237   -1.6238   -0.8023 O   0  0  0  0  0
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    3.0290    2.2788   -2.4321 C   0  0  0  0  0
    0.1242    0.4871    2.1554 H   0  0  0  0  0
    0.8260   -1.0982    2.4301 H   0  0  0  0  0
    0.1465   -0.6913    0.8354 H   0  0  0  0  0
    1.1438    1.9954    0.5656 H   0  0  0  0  0
    1.5597    0.8176   -0.6672 H   0  0  0  0  0
    3.3776    2.6757    0.9778 H   0  0  0  0  0
    5.8451    2.6559   -0.2878 H   0  0  0  0  0
    3.2620   -1.3066    1.8519 H   0  0  0  0  0
    2.3933   -1.5591   -1.0957 H   0  0  0  0  0
    1.5675   -2.3596    0.2538 H   0  0  0  0  0
    2.1100   -4.6431   -0.1673 H   0  0  0  0  0
    6.9480   -3.5259    0.3493 H   0  0  0  0  0
    5.2462   -7.6907    1.3074 H   0  0  0  0  0
    5.4860   -7.8784   -0.4473 H   0  0  0  0  0
    9.3740   -0.7400   -0.5392 H   0  0  0  0  0
    8.6496   -0.5518   -2.1862 H   0  0  0  0  0
    9.4028   -3.2728   -1.0857 H   0  0  0  0  0
    9.3631   -2.0547   -3.9713 H   0  0  0  0  0
    9.7378   -3.7815   -3.5425 H   0  0  0  0  0
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    3.4084    4.7671   -0.1315 H   0  0  0  0  0
    3.3201    6.1296   -2.1887 H   0  0  0  0  0
    3.0340    5.0469   -4.3984 H   0  0  0  0  0
    2.8552    2.5758   -4.5570 H   0  0  0  0  0
    2.9724    1.1953   -2.5259 H   0  0  0  0  0
  1  2  1  0  0  0
  1 35  1  0  0  0
  1 36  1  0  0  0
  1 37  1  0  0  0
  2  3  1  0  0  0
  2 11  1  0  0  0
  3  4  1  0  0  0
  3 38  1  0  0  0
  3 39  1  0  0  0
  4 29  1  0  0  0
  4  5  1  0  0  0
  4 40  1  0  0  0
  5  6  2  0  0  0
  5 10  1  0  0  0
  6  7  1  0  0  0
  6 41  1  0  0  0
  7  8  2  0  0  0
  7 27  1  0  0  0
  8  9  1  0  0  0
  8 22  1  0  0  0
  9 10  2  0  0  0
  9 18  1  0  0  0
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 29 30  2  0  0  0
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 33 62  1  0  0  0
 34 63  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL3609143

>  <PubChem CID>
122187378

>  <Formula>
C29H29NO4

>  <Molecular Weight>
455.554000

>  <IUPAC Name>


>  <XlogP>
5.4

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CN1CC(C2=CC(=C(C3=C2C1CC4=CC5=C(C=C43)OCO5)OCC6CC6)OC)C7=CC=CC=C7

>  <Isomeric SMILES>
CN1CC(C2=CC(=C(C3=C2C1CC4=CC5=C(C=C43)OCO5)OCC6CC6)OC)C7=CC=CC=C7

>  <InChI Std. ID>
InChI=1S/C29H29NO4/c1-30-14-22(18-6-4-3-5-7-18)21-13-26(31-2)29(32-15-17-8-9-17)28-20-12-25-24(33-16-34-25)11-19(20)10-23(30)27(21)28/h3-7,11-13,17,22-23H,8-10,14-16H2,1-2H3

>  <InChI Key>
CYJCXWNNMRXTFZ-UHFFFAOYSA-N

