5280789
  -OEChem-05112420272D

 98 97  0     0  0  0  0  0  0999 V2000
   25.3827    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.5167   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.7846   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.9186    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.2487   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.6506    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.0526   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.5167   -1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.1147    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.9808   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.0526   -1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.1865    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.8468    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.9808   -1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3205   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.4545    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.5885   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.5885   -1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7224    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942    1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8564   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5263    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2583    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9904    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3923   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1244   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2583    1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.7812    0.7249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   24.9842    0.7249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   22.3861   -0.7249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   23.1831   -0.7249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   22.3171    0.7249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.5201    0.7249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   25.8502   -0.7249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   26.6472   -0.7249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   23.6506    0.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   23.8967   -1.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   24.5167   -1.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   25.1367   -1.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   27.1147    0.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   20.4326   -1.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.0526   -1.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.6726   -1.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   20.1865    0.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0656   -0.7249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8626   -0.7249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9966    0.7249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1996    0.7249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   29.1568   -0.2869    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   29.3837    0.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   28.5368    0.7869    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   27.3608   -1.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   27.9808   -1.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   28.6008   -1.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.3205   -0.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9501    1.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    1.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7101    1.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -0.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.4545    0.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900    0.2869    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -0.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100   -0.7869    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4860    1.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2460    1.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    0.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282   -0.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.9685   -1.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.5885   -1.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.2085   -1.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.7224    0.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603   -0.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4142    1.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942    1.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1742    1.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.8564   -0.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5263    0.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.9904    0.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.3923   -0.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.1244   -0.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.8783    1.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.2583    1.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.6383    1.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  5  1  0  0  0  0
  1 41  1  0  0  0  0
  1 42  1  0  0  0  0
  2  6  2  0  0  0  0
  2  8  1  0  0  0  0
  3  4  1  0  0  0  0
  3  6  1  0  0  0  0
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 10 17  1  0  0  0  0
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 11 56  1  0  0  0  0
 12 19  1  0  0  0  0
 12 57  1  0  0  0  0
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 13 15  1  0  0  0  0
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 13 59  1  0  0  0  0
 14 18  1  0  0  0  0
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 14 61  1  0  0  0  0
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 18 20  2  0  0  0  0
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 19 23  2  0  0  0  0
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 20 24  1  0  0  0  0
 20 25  1  0  0  0  0
 21 70  1  0  0  0  0
 21 71  1  0  0  0  0
 21 72  1  0  0  0  0
 22 27  1  0  0  0  0
 22 73  1  0  0  0  0
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 23 74  1  0  0  0  0
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 24 76  1  0  0  0  0
 24 77  1  0  0  0  0
 25 78  1  0  0  0  0
 25 79  1  0  0  0  0
 25 80  1  0  0  0  0
 26 29  1  0  0  0  0
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 27 28  2  0  0  0  0
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 28 30  1  0  0  0  0
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 29 84  1  0  0  0  0
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 32 35  1  0  0  0  0
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 33 88  1  0  0  0  0
 33 89  1  0  0  0  0
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 34 37  2  0  0  0  0
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 35 92  1  0  0  0  0
 36 38  1  0  0  0  0
 36 39  2  0  0  0  0
 36 40  1  0  0  0  0
 37 39  1  0  0  0  0
 37 93  1  0  0  0  0
 38 94  1  0  0  0  0
 39 95  1  0  0  0  0
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 40 97  1  0  0  0  0
 40 98  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
5280789

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
1100

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
0

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
17

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcfB8AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGAAAAAAADACAAAACAAAAAACAAiBCAAAAAAAgAAAICAAAAAgIAAIAAQAAAAAAgAAIgAIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
(6E,8E,10E,12E,14E,16E,18E,20E,22E,26E)-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,8,10,12,14,16,18,20,22,26,30-dodecaene

> <PUBCHEM_IUPAC_CAS_NAME>
(6E,8E,10E,12E,14E,16E,18E,20E,22E,26E)-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,8,10,12,14,16,18,20,22,26,30-dodecaene

> <PUBCHEM_IUPAC_NAME_MARKUP>
(6<I>E</I>,8<I>E</I>,10<I>E</I>,12<I>E</I>,14<I>E</I>,16<I>E</I>,18<I>E</I>,20<I>E</I>,22<I>E</I>,26<I>E</I>)-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,8,10,12,14,16,18,20,22,26,30-dodecaene

> <PUBCHEM_IUPAC_NAME>
(6E,8E,10E,12E,14E,16E,18E,20E,22E,26E)-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,8,10,12,14,16,18,20,22,26,30-dodecaene

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
(6E,8E,10E,12E,14E,16E,18E,20E,22E,26E)-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,8,10,12,14,16,18,20,22,26,30-dodecaene

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(6E,8E,10E,12E,14E,16E,18E,20E,22E,26E)-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,8,10,12,14,16,18,20,22,26,30-dodecaene

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C40H58/c1-33(2)19-13-23-37(7)27-17-31-39(9)29-15-25-35(5)21-11-12-22-36(6)26-16-30-40(10)32-18-28-38(8)24-14-20-34(3)4/h11-12,15-17,19-22,25-31H,13-14,18,23-24,32H2,1-10H3/b12-11+,25-15+,26-16+,31-17+,35-21+,36-22+,37-27+,38-28+,39-29+,40-30+

> <PUBCHEM_IUPAC_INCHIKEY>
ATCICVFRSJQYDV-XILUKMICSA-N

> <PUBCHEM_XLOGP3_AA>
15.5

> <PUBCHEM_EXACT_MASS>
538.453851850

> <PUBCHEM_MOLECULAR_FORMULA>
C40H58

> <PUBCHEM_MOLECULAR_WEIGHT>
538.9

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC(=CCCC(=CCCC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC=C(C)CCC=C(C)C)C)C)C)C

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC(=CCC/C(=C/CC/C(=C/C=C/C(=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C=C(\C)/CCC=C(C)C)/C)/C)/C)C

> <PUBCHEM_CACTVS_TPSA>
0

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
538.453851850

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
40

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
10

> <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

$$$$