1108
  -OEChem-04262406512D

 45 48  0     1  0  0  0  0  0999 V2000
    5.6591   -0.2009    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.7931    0.2991    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.5251    0.2991    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.8831   -0.2078    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.5251    1.2991    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.8751   -1.2494    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.7931    1.2991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6752   -1.2424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6591    1.7991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7771   -1.7702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4714   -0.0056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4714    1.6038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9562    0.3563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0550    0.7991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9396   -1.7991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0084   -0.1716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.2566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1984   -0.5068    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3300    0.6091    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5908   -0.3174    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8950    0.4121    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5908    1.9156    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8774   -1.8694    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5810    1.8817    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1825    1.1914    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8932   -1.8228    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2843   -1.1269    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0576    2.2740    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2606    2.2740    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3798   -2.2462    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1781   -2.2431    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2203   -0.5726    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0087   -0.3149    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0087    1.9130    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2203    2.1707    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3645    0.8230    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5663    0.8384    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5158    0.3844    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5158    1.2138    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5423   -2.2751    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3406   -2.2720    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8038    0.4137    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3967   -0.2730    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3900   -1.1458    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7864   -1.8386    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  8  1  0  0  0  0
  1 18  1  0  0  0  0
  2  4  1  0  0  0  0
  2  7  1  0  0  0  0
  2 19  1  0  0  0  0
  3  5  1  0  0  0  0
  3 11  1  0  0  0  0
  3 20  1  0  0  0  0
  4  6  1  0  0  0  0
  4 13  1  0  0  0  0
  4 21  1  0  0  0  0
  5  9  1  0  0  0  0
  5 12  1  0  0  0  0
  5 22  1  0  0  0  0
  6 10  1  0  0  0  0
  6 15  1  0  0  0  0
  6 23  1  0  0  0  0
  7  9  1  0  0  0  0
  7 24  1  0  0  0  0
  7 25  1  0  0  0  0
  8 10  1  0  0  0  0
  8 26  1  0  0  0  0
  8 27  1  0  0  0  0
  9 28  1  0  0  0  0
  9 29  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 14  1  0  0  0  0
 12 34  1  0  0  0  0
 12 35  1  0  0  0  0
 13 16  1  0  0  0  0
 13 36  1  0  0  0  0
 13 37  1  0  0  0  0
 14 38  1  0  0  0  0
 14 39  1  0  0  0  0
 15 17  1  0  0  0  0
 15 40  1  0  0  0  0
 15 41  1  0  0  0  0
 16 17  1  0  0  0  0
 16 42  1  0  0  0  0
 16 43  1  0  0  0  0
 17 44  1  0  0  0  0
 17 45  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
1108

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
282

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
0

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB4AAAAAAAAAAAAAAAAAAAAAYAAAAAwYMAAAAAAAGDAAAAAGAAAAAAADQCAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAIAAAAAAAAAAAAAAAEAgMAOgAAAAAAAAACAAAQAACAAAAAACAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17-hexadecahydro-1H-cyclopenta[a]phenanthrene

> <PUBCHEM_IUPAC_CAS_NAME>
2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17-hexadecahydro-1H-cyclopenta[a]phenanthrene

> <PUBCHEM_IUPAC_NAME_MARKUP>
2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17-hexadecahydro-1<I>H</I>-cyclopenta[a]phenanthrene

> <PUBCHEM_IUPAC_NAME>
2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17-hexadecahydro-1H-cyclopenta[a]phenanthrene

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17-hexadecahydro-1H-cyclopenta[a]phenanthrene

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17-hexadecahydro-1H-cyclopenta[a]phenanthrene

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C17H28/c1-2-6-14-12(4-1)8-10-17-15-7-3-5-13(15)9-11-16(14)17/h12-17H,1-11H2

> <PUBCHEM_IUPAC_INCHIKEY>
UACIBCPNAKBWHX-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
6.8

> <PUBCHEM_EXACT_MASS>
232.219100893

> <PUBCHEM_MOLECULAR_FORMULA>
C17H28

> <PUBCHEM_MOLECULAR_WEIGHT>
232.4

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1CCC2C(C1)CCC3C2CCC4C3CCC4

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1CCC2C(C1)CCC3C2CCC4C3CCC4

> <PUBCHEM_CACTVS_TPSA>
0

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
232.219100893

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
17

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
6

> <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  8  3
2  7  3
3  11  3
4  13  3
5  12  3
6  15  3

$$$$