573
  -OEChem-05102406472D

 96 97  0     0  0  0  0  0  0999 V2000
    2.8660   -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
    2.0000    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
    2.0000    1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.9186   -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
   20.1865   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.0526   -1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.1865   -1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3660   -1.1160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3660   -1.1160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.5526    1.1160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5526    1.1160    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
   19.3205    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3205   -1.7500    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
   18.4545   -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
   17.5885    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
   17.5885    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
   16.7224   -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
   15.8564    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
   14.9904   -0.2500    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
   14.1244    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
   14.1244    1.2500    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
   13.2583   -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
   12.3923    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3894    0.3577    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7880   -0.3326    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   22.5292   -0.3577    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   22.1306    0.3326    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7880    1.8326    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3894    1.1423    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   22.1306   -1.8326    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   22.5292   -1.1423    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2646    2.2250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4675    2.2250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   20.6540   -2.2250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.4511   -2.2250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    3.9030   -0.8060    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   22.0895    0.8060    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.8626    1.6530    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.0156    1.4260    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.0895    1.4260    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   20.2426    1.6530    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   20.0156    0.8060    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -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
    4.9081    1.2131    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    2.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2881    2.2869    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.0105   -1.2131    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.7836   -2.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.6305   -2.2869    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    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
    5.7101   -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
    6.9501   -1.2500    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
   17.5885    1.8700    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
    7.1962    0.8700    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
    8.0622   -0.8700    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
    8.9282    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
    9.1742   -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
   10.4142   -1.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.7444    1.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.1244    1.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.5044    1.2500    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
   13.2583   -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
   12.3923    0.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  1  7  1  0  0  0  0
  1 13  1  0  0  0  0
  1 14  1  0  0  0  0
  2  4  1  0  0  0  0
  2  8  1  0  0  0  0
  2 15  1  0  0  0  0
  2 16  1  0  0  0  0
  3  5  1  0  0  0  0
  3 41  1  0  0  0  0
  3 42  1  0  0  0  0
  4  6  1  0  0  0  0
  4 43  1  0  0  0  0
  4 44  1  0  0  0  0
  5  9  1  0  0  0  0
  5 45  1  0  0  0  0
  5 46  1  0  0  0  0
  6 10  1  0  0  0  0
  6 47  1  0  0  0  0
  6 48  1  0  0  0  0
  7 11  2  0  0  0  0
  7 17  1  0  0  0  0
  8 12  2  0  0  0  0
  8 18  1  0  0  0  0
  9 11  1  0  0  0  0
  9 49  1  0  0  0  0
  9 50  1  0  0  0  0
 10 12  1  0  0  0  0
 10 51  1  0  0  0  0
 10 52  1  0  0  0  0
 11 19  1  0  0  0  0
 12 20  1  0  0  0  0
 13 53  1  0  0  0  0
 13 54  1  0  0  0  0
 13 55  1  0  0  0  0
 14 56  1  0  0  0  0
 14 57  1  0  0  0  0
 14 58  1  0  0  0  0
 15 59  1  0  0  0  0
 15 60  1  0  0  0  0
 15 61  1  0  0  0  0
 16 62  1  0  0  0  0
 16 63  1  0  0  0  0
 16 64  1  0  0  0  0
 17 21  2  3  0  0  0
 17 65  1  0  0  0  0
 18 22  2  3  0  0  0
 18 66  1  0  0  0  0
 19 67  1  0  0  0  0
 19 68  1  0  0  0  0
 19 69  1  0  0  0  0
 20 70  1  0  0  0  0
 20 71  1  0  0  0  0
 20 72  1  0  0  0  0
 21 23  1  0  0  0  0
 21 73  1  0  0  0  0
 22 24  1  0  0  0  0
 22 74  1  0  0  0  0
 23 25  1  0  0  0  0
 23 27  2  3  0  0  0
 24 26  1  0  0  0  0
 24 28  2  3  0  0  0
 25 75  1  0  0  0  0
 25 76  1  0  0  0  0
 25 77  1  0  0  0  0
 26 78  1  0  0  0  0
 26 79  1  0  0  0  0
 26 80  1  0  0  0  0
 27 29  1  0  0  0  0
 27 81  1  0  0  0  0
 28 30  1  0  0  0  0
 28 82  1  0  0  0  0
 29 31  2  3  0  0  0
 29 83  1  0  0  0  0
 30 32  2  3  0  0  0
 30 84  1  0  0  0  0
 31 33  1  0  0  0  0
 31 85  1  0  0  0  0
 32 34  1  0  0  0  0
 32 86  1  0  0  0  0
 33 35  1  0  0  0  0
 33 37  2  3  0  0  0
 34 36  1  0  0  0  0
 34 38  2  3  0  0  0
 35 87  1  0  0  0  0
 35 88  1  0  0  0  0
 35 89  1  0  0  0  0
 36 90  1  0  0  0  0
 36 91  1  0  0  0  0
 36 92  1  0  0  0  0
 37 39  1  0  0  0  0
 37 93  1  0  0  0  0
 38 40  1  0  0  0  0
 38 94  1  0  0  0  0
 39 40  2  3  0  0  0
 39 95  1  0  0  0  0
 40 96  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
573

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
1120

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
0

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
10

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcfB8AAAAAAAAAAAAAAAAAAAAAAAAAAAgQAAAAAAAAAAAAAAAGAAAAAAADgCAAAACAAAAAACAAiBCAAAAAAAgAAAICAAAAAgIAAIAAQAAAAAAgAAIgAMAgMAPAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
1,3,3-trimethyl-2-[3,7,12,16-tetramethyl-18-(2,6,6-trimethylcyclohexen-1-yl)octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohexene

> <PUBCHEM_IUPAC_CAS_NAME>
1,3,3-trimethyl-2-[3,7,12,16-tetramethyl-18-(2,6,6-trimethyl-1-cyclohexenyl)octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohexene

> <PUBCHEM_IUPAC_NAME_MARKUP>
1,3,3-trimethyl-2-[3,7,12,16-tetramethyl-18-(2,6,6-trimethylcyclohexen-1-yl)octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohexene

> <PUBCHEM_IUPAC_NAME>
1,3,3-trimethyl-2-[3,7,12,16-tetramethyl-18-(2,6,6-trimethylcyclohexen-1-yl)octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohexene

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
1,3,3-trimethyl-2-[3,7,12,16-tetramethyl-18-(2,6,6-trimethylcyclohexen-1-yl)octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohexene

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
1,3,3-trimethyl-2-[3,7,12,16-tetramethyl-18-(2,6,6-trimethylcyclohexen-1-yl)octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohexene

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C40H56/c1-31(19-13-21-33(3)25-27-37-35(5)23-15-29-39(37,7)8)17-11-12-18-32(2)20-14-22-34(4)26-28-38-36(6)24-16-30-40(38,9)10/h11-14,17-22,25-28H,15-16,23-24,29-30H2,1-10H3

> <PUBCHEM_IUPAC_INCHIKEY>
OENHQHLEOONYIE-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3>
13.5

> <PUBCHEM_EXACT_MASS>
536.438201786

> <PUBCHEM_MOLECULAR_FORMULA>
C40H56

> <PUBCHEM_MOLECULAR_WEIGHT>
536.9

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC2=C(CCCC2(C)C)C)C)C

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC2=C(CCCC2(C)C)C)C)C

> <PUBCHEM_CACTVS_TPSA>
0

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
536.438201786

> <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>
0

> <PUBCHEM_BOND_UDEF_STEREO_COUNT>
9

> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

> <PUBCHEM_COMPONENT_COUNT>
1

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
17  21  1
18  22  1
23  27  1
24  28  1
29  31  1
30  32  1
33  37  1
34  38  1
39  40  1

$$$$