101289537
  -OEChem-10112120452D

 52 55  0     1  0  0  0  0  0999 V2000
    5.6538   -0.1308    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.7853    0.3648    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.8778   -0.1465    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.8750   -1.1882    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.6751   -1.1722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6293    1.0505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7797   -1.7045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3054    2.0196    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.9423   -1.7425    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6313    1.3529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5828    0.2391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9482    0.4129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3078    2.0894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8728    1.1962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5384    0.7941    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.2047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0029   -0.1197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4500   -2.6130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4500   -2.6041    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8609    1.3502    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0471    0.7862    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8825   -2.0381    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8960   -1.7516    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2836   -1.0537    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2551    1.5448    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0436    0.8471    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3847   -2.1824    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1830   -2.1754    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5519    2.8331    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2795    1.8634    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0553    1.1235    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6783   -0.3735    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2013    0.1959    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3541    0.8816    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5559    0.8930    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4876    2.6827    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7694    2.3967    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1216    1.0046    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3279    1.3773    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9552    0.5836    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3894   -1.0970    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7894   -1.7879    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7955    0.4645    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3918   -0.2242    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9104   -2.3077    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1448   -3.1526    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9897   -2.9182    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9158   -2.9188    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7647   -3.1383    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9841   -2.2894    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2499    0.8673    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0845    1.9284    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  6  0  0  0
  1  6  1  0  0  0  0
  1 11  1  0  0  0  0
  2  3  1  0  0  0  0
  2 10  1  0  0  0  0
  2 21  1  6  0  0  0
  3  4  1  0  0  0  0
  3 12  1  0  0  0  0
  3 15  1  1  0  0  0
  4  7  1  0  0  0  0
  4  9  1  0  0  0  0
  4 22  1  6  0  0  0
  5  7  1  0  0  0  0
  5 23  1  0  0  0  0
  5 24  1  0  0  0  0
  6  8  1  0  0  0  0
  6 25  1  0  0  0  0
  6 26  1  0  0  0  0
  7 27  1  0  0  0  0
  7 28  1  0  0  0  0
  8 13  1  0  0  0  0
  8 14  1  0  0  0  0
  8 29  1  6  0  0  0
  9 16  1  0  0  0  0
  9 18  1  0  0  0  0
  9 19  1  0  0  0  0
 10 13  1  0  0  0  0
 10 30  1  0  0  0  0
 10 31  1  0  0  0  0
 11 14  1  0  0  0  0
 11 32  1  0  0  0  0
 11 33  1  0  0  0  0
 12 17  1  0  0  0  0
 12 34  1  0  0  0  0
 12 35  1  0  0  0  0
 13 36  1  0  0  0  0
 13 37  1  0  0  0  0
 14 20  2  0  0  0  0
 15 38  1  0  0  0  0
 15 39  1  0  0  0  0
 15 40  1  0  0  0  0
 16 17  1  0  0  0  0
 16 41  1  0  0  0  0
 16 42  1  0  0  0  0
 17 43  1  0  0  0  0
 17 44  1  0  0  0  0
 18 45  1  0  0  0  0
 18 46  1  0  0  0  0
 18 47  1  0  0  0  0
 19 48  1  0  0  0  0
 19 49  1  0  0  0  0
 19 50  1  0  0  0  0
 20 51  1  0  0  0  0
 20 52  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
101289537

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
445

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
0

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcfB4AAAAAAAAAAAAAAAAAAAAAYAAAAAwYMAABgAAAADAAAAAGAAAAAAADwCAAAACAAAAAACAAgBCAAAAAAAgAAAAAAAAAAgAAAIAAQAAAAAAgAAAAAEAgMAPgAAAAAAAAACAAAQAACAAAQAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
(1S,4S,9S,10S,13R)-5,5,9-trimethyl-14-methylene-tetracyclo[11.2.1.01,10.04,9]hexadecane

> <PUBCHEM_IUPAC_CAS_NAME>
(1S,4S,9S,10S,13R)-5,5,9-trimethyl-14-methylenetetracyclo[11.2.1.01,10.04,9]hexadecane

> <PUBCHEM_IUPAC_NAME_MARKUP>
(1<I>S</I>,4<I>S</I>,9<I>S</I>,10<I>S</I>,13<I>R</I>)-5,5,9-trimethyl-14-methylidenetetracyclo[11.2.1.0<SUP>1,10</SUP>.0<SUP>4,9</SUP>]hexadecane

> <PUBCHEM_IUPAC_NAME>
(1S,4S,9S,10S,13R)-5,5,9-trimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecane

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
(1S,4S,9S,10S,13R)-5,5,9-trimethyl-14-methylidene-tetracyclo[11.2.1.01,10.04,9]hexadecane

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(1S,4S,9S,10S,13R)-5,5,9-trimethyl-14-methylene-tetracyclo[11.2.1.01,10.04,9]hexadecane

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C20H32/c1-14-12-20-11-8-16-18(2,3)9-5-10-19(16,4)17(20)7-6-15(14)13-20/h15-17H,1,5-13H2,2-4H3/t15-,16+,17-,19+,20-/m1/s1

> <PUBCHEM_IUPAC_INCHIKEY>
ONVABDHFQKWOSV-FPPGBKCQSA-N

> <PUBCHEM_XLOGP3_AA>
6.9

> <PUBCHEM_EXACT_MASS>
272.250401021

> <PUBCHEM_MOLECULAR_FORMULA>
C20H32

> <PUBCHEM_MOLECULAR_WEIGHT>
272.5

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1(CCCC2(C1CCC34C2CCC(C3)C(=C)C4)C)C

> <PUBCHEM_OPENEYE_ISO_SMILES>
C[C@]12CCCC([C@@H]1CC[C@]34[C@@H]2CC[C@H](C3)C(=C)C4)(C)C

> <PUBCHEM_CACTVS_TPSA>
0

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
272.250401021

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
20

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
5

> <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>
1  5  6
2  21  6
3  15  5
4  22  6
8  29  6

$$$$
