11027681
  -OEChem-05062418042D

 65 76  0     0  0  0  0  0  0999 V2000
    4.7992    0.1681    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9902    0.7559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6082    0.7559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0478   -1.3089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1089   -0.7765    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2992    1.7070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3843   -1.9352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6167   -0.1751    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5786    0.1164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9838    0.9313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.1029   -0.7756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.5524   -0.4688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5438   -1.3825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0740   -1.0680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9361    0.0630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7646    2.6009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9951   -3.5070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5740   -0.1066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4107    2.4092    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1703    0.8735    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0824   -1.1116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1164    0.0726    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0258    1.1796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5204   -1.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0430   -1.8143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4770    0.6976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8339    2.6009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2784    3.5070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1154   -2.7527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.9797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9860    0.5694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0291   -0.4345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4764   -1.9098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2762    0.7834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.3200    3.5070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1446    2.5937    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8624   -4.1126    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2977    0.4485    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0499    1.4817    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1721   -1.7251    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8752    1.7810    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1633   -2.4225    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9962    2.8703    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8094   -2.5027    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4292   -0.4626    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4848    1.3176    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  2  8  1  0  0  0  0
  2 10  1  0  0  0  0
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 23 34  1  0  0  0  0
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 35 59  1  0  0  0  0
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 37 62  1  0  0  0  0
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M  END
> <PUBCHEM_COMPOUND_CID>
11027681

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
852

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
0

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB8AAAAAAAAAAAAAAAAAAAAAYMGDBgwYMGDAAAYMGABVAAAGAAAAAAADgCAGAAwAIAAAACAAiBCAAACAAAgAAAIiAAAAIgIICKAERCAIAAggAAIiAcAgMAPgAAAAAAQAAAAAAAAACAAAQAACAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
dodecacyclo[13.13.6.68,22.115,22.02,7.09,14.016,21.023,28.029,34.01,35.08,35.036,41]hentetraconta-2,4,6,9,11,13,16,18,20,23,25,27,29,31,33,36,38,40-octadecaene

> <PUBCHEM_IUPAC_CAS_NAME>
dodecacyclo[13.13.6.68,22.115,22.02,7.09,14.016,21.023,28.029,34.01,35.08,35.036,41]hentetraconta-2,4,6,9,11,13,16,18,20,23,25,27,29,31,33,36,38,40-octadecaene

> <PUBCHEM_IUPAC_NAME_MARKUP>
dodecacyclo[13.13.6.6<SUP>8,22</SUP>.1<SUP>15,22</SUP>.0<SUP>2,7</SUP>.0<SUP>9,14</SUP>.0<SUP>16,21</SUP>.0<SUP>23,28</SUP>.0<SUP>29,34</SUP>.0<SUP>1,35</SUP>.0<SUP>8,35</SUP>.0<SUP>36,41</SUP>]hentetraconta-2,4,6,9,11,13,16,18,20,23,25,27,29,31,33,36,38,40-octadecaene

> <PUBCHEM_IUPAC_NAME>
dodecacyclo[13.13.6.68,22.115,22.02,7.09,14.016,21.023,28.029,34.01,35.08,35.036,41]hentetraconta-2,4,6,9,11,13,16,18,20,23,25,27,29,31,33,36,38,40-octadecaene

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
dodecacyclo[13.13.6.68,22.115,22.02,7.09,14.016,21.023,28.029,34.01,35.08,35.036,41]hentetraconta-2,4,6,9,11,13,16,18,20,23,25,27,29,31,33,36,38,40-octadecaene

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
dodecacyclo[13.13.6.68,22.115,22.02,7.09,14.016,21.023,28.029,34.01,35.08,35.036,41]hentetraconta-2,4,6,9,11,13,16,18,20,23,25,27,29,31,33,36,38,40-octadecaene

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C41H24/c1-2-14-26-25(13-1)37-27-15-3-5-17-29(27)39-33-21-9-7-19-31(33)38(26)32-20-8-10-22-34(32)40(41(37,38)39,30-18-6-4-16-28(30)37)36-24-12-11-23-35(36)39/h1-24H

> <PUBCHEM_IUPAC_INCHIKEY>
UCZDRLAIZMPLNB-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
9.1

> <PUBCHEM_EXACT_MASS>
516.187800766

> <PUBCHEM_MOLECULAR_FORMULA>
C41H24

> <PUBCHEM_MOLECULAR_WEIGHT>
516.6

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=CC=C2C(=C1)C34C5=CC=CC=C5C67C38C2(C9=CC=CC=C96)C1=CC=CC=C1C8(C1=CC=CC=C41)C1=CC=CC=C71

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=CC=C2C(=C1)C34C5=CC=CC=C5C67C38C2(C9=CC=CC=C96)C1=CC=CC=C1C8(C1=CC=CC=C41)C1=CC=CC=C71

> <PUBCHEM_CACTVS_TPSA>
0

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
516.187800766

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
41

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_UDEF_STEREO_COUNT>
0

> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

> <PUBCHEM_COMPONENT_COUNT>
1

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
10  21  8
11  12  8
11  22  8
12  23  8
13  29  8
14  28  8
15  17  8
15  27  8
16  26  8
17  25  8
18  30  8
19  31  8
20  32  8
21  39  8
22  33  8
23  34  8
24  40  8
25  36  8
26  35  8
27  38  8
28  37  8
29  41  8
30  41  8
31  37  8
32  35  8
33  34  8
36  38  8
39  40  8
6  13  8
6  18  8
7  14  8
7  19  8
8  16  8
8  20  8
9  10  8
9  24  8

$$$$