94144
  -OEChem-04262406462D

 51 54  0     1  0  0  0  0  0999 V2000
    4.7931    0.0491    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.6591   -0.4509    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.5251    0.0491    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.8831   -0.4578    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.5251    1.0491    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.8751   -1.4994    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.7931    1.0491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6591    1.5491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6752   -1.4924    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4714   -0.2556    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7771   -2.0202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4714    1.3538    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9562    0.1063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0550    0.5491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9396   -2.0491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8908    0.5422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5251    2.0491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0084   -0.4216    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.5066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5292    0.4741    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3985   -0.8702    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6151   -0.7961    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8783   -2.3494    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5810    1.6317    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1825    0.9414    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0576    2.0240    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2606    2.0240    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8932   -2.0728    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2843   -1.3769    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2203   -0.8226    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0087   -0.5649    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3798   -2.4962    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1781   -2.4931    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0087    1.6630    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2203    1.9207    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3645    0.5730    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5663    0.5884    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5158    0.1344    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5158    0.9638    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5423   -2.5251    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3406   -2.5220    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5108    0.5374    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8956    1.1622    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2708    0.5470    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1451    2.0491    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5251    2.6691    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9051    2.0491    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8038    0.1637    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3967   -0.5230    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3900   -1.3958    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7864   -2.0886    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  4  1  0  0  0  0
  1  7  1  0  0  0  0
  1 20  1  6  0  0  0
  2  3  1  0  0  0  0
  2  9  1  0  0  0  0
  2 21  1  1  0  0  0
  3  5  1  0  0  0  0
  3 10  1  0  0  0  0
  3 22  1  6  0  0  0
  4  6  1  0  0  0  0
  4 13  1  0  0  0  0
  4 16  1  1  0  0  0
  5  8  1  0  0  0  0
  5 12  1  0  0  0  0
  5 17  1  1  0  0  0
  6 11  1  0  0  0  0
  6 15  1  0  0  0  0
  6 23  1  6  0  0  0
  7  8  1  0  0  0  0
  7 24  1  0  0  0  0
  7 25  1  0  0  0  0
  8 26  1  0  0  0  0
  8 27  1  0  0  0  0
  9 11  1  0  0  0  0
  9 28  1  0  0  0  0
  9 29  1  0  0  0  0
 10 14  1  0  0  0  0
 10 30  1  0  0  0  0
 10 31  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 18  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 19  1  0  0  0  0
 15 40  1  0  0  0  0
 15 41  1  0  0  0  0
 16 42  1  0  0  0  0
 16 43  1  0  0  0  0
 16 44  1  0  0  0  0
 17 45  1  0  0  0  0
 17 46  1  0  0  0  0
 17 47  1  0  0  0  0
 18 19  1  0  0  0  0
 18 48  1  0  0  0  0
 18 49  1  0  0  0  0
 19 50  1  0  0  0  0
 19 51  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
94144

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
359

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
0

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcfB4AAAAAAAAAAAAAAAAAAAAAYAAAAAwYMAAAAAAAGDAAAAAGAAAAAAADwCAAAACAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAIAAAAAAAAAAAAAAAEAgMAPgAAAAAAAAACAAAQAACAAAAAACAAAAA==

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

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

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

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

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

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

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C19H32/c1-18-11-5-7-16(18)15-9-8-14-6-3-4-12-19(14,2)17(15)10-13-18/h14-17H,3-13H2,1-2H3/t14-,15+,16+,17+,18+,19+/m1/s1

> <PUBCHEM_IUPAC_INCHIKEY>
QZLYKIGBANMMBK-UGCZWRCOSA-N

> <PUBCHEM_XLOGP3_AA>
7.6

> <PUBCHEM_EXACT_MASS>
260.250401021

> <PUBCHEM_MOLECULAR_FORMULA>
C19H32

> <PUBCHEM_MOLECULAR_WEIGHT>
260.5

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC12CCCC1C3CCC4CCCCC4(C3CC2)C

> <PUBCHEM_OPENEYE_ISO_SMILES>
C[C@@]12CCC[C@H]1[C@@H]3CC[C@H]4CCCC[C@@]4([C@H]3CC2)C

> <PUBCHEM_CACTVS_TPSA>
0

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
260.250401021

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
19

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
6

> <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  20  6
2  21  5
3  22  6
4  16  5
5  17  5
6  23  6

$$$$