239425
  -OEChem-05132407412D

 48 51  0     1  0  0  0  0  0999 V2000
    7.7820    2.1767    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7931   -0.0785    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.6591   -0.5785    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.5251   -0.0785    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.8831   -0.5854    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.5251    0.9215    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.8751   -1.6270    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.7931    0.9215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6752   -1.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6591    1.4215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7771   -2.1478    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4714   -0.3833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9562   -0.0213    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4714    1.2262    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0550    0.4215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8908    0.4146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9396   -2.1767    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5251    1.9215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0084   -0.5493    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.6342    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3300    0.2315    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1984   -0.8844    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5908   -0.6951    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8774   -2.2470    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5810    1.5041    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1825    0.8138    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8932   -2.2004    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2843   -1.5046    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0576    1.8964    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2606    1.8964    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3798   -2.6238    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1781   -2.6207    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2203   -0.9502    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0087   -0.6925    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3645    0.4454    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5663    0.4607    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5158    0.0067    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5158    0.8362    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5108    0.4098    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8956    1.0346    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2708    0.4194    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5423   -2.6527    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3406   -2.6496    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1451    1.9215    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5251    2.5415    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9051    1.9215    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4750   -0.2331    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4619   -1.9421    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 14  2  0  0  0  0
  2  3  1  0  0  0  0
  2  5  1  0  0  0  0
  2  8  1  0  0  0  0
  2 21  1  0  0  0  0
  3  4  1  0  0  0  0
  3  9  1  0  0  0  0
  3 22  1  0  0  0  0
  4  6  1  0  0  0  0
  4 12  1  0  0  0  0
  4 23  1  0  0  0  0
  5  7  1  0  0  0  0
  5 13  1  0  0  0  0
  5 16  1  0  0  0  0
  6 10  1  0  0  0  0
  6 14  1  0  0  0  0
  6 18  1  0  0  0  0
  7 11  1  0  0  0  0
  7 17  1  0  0  0  0
  7 24  1  0  0  0  0
  8 10  1  0  0  0  0
  8 25  1  0  0  0  0
  8 26  1  0  0  0  0
  9 11  1  0  0  0  0
  9 27  1  0  0  0  0
  9 28  1  0  0  0  0
 10 29  1  0  0  0  0
 10 30  1  0  0  0  0
 11 31  1  0  0  0  0
 11 32  1  0  0  0  0
 12 15  1  0  0  0  0
 12 33  1  0  0  0  0
 12 34  1  0  0  0  0
 13 19  1  0  0  0  0
 13 35  1  0  0  0  0
 13 36  1  0  0  0  0
 14 15  1  0  0  0  0
 15 37  1  0  0  0  0
 15 38  1  0  0  0  0
 16 39  1  0  0  0  0
 16 40  1  0  0  0  0
 16 41  1  0  0  0  0
 17 20  1  0  0  0  0
 17 42  1  0  0  0  0
 17 43  1  0  0  0  0
 18 44  1  0  0  0  0
 18 45  1  0  0  0  0
 18 46  1  0  0  0  0
 19 20  2  0  0  0  0
 19 47  1  0  0  0  0
 20 48  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
239425

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
464

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
1

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB4IAAAAAAAAAAAAAAAAAAAAYAAAAAwYIAAAAAAAGDAAAAAGgAAAAAADwSAgAACAAAAAACIAKBSAAAAAAAgAAAICAEAAAgAABIAAQAAAAAAgAAIAAMIiMCPgAAAAAAAAACAAAQAACAAAAAACAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
10,13-dimethyl-1,4,5,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-one

> <PUBCHEM_IUPAC_CAS_NAME>
10,13-dimethyl-1,4,5,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-one

> <PUBCHEM_IUPAC_NAME_MARKUP>
10,13-dimethyl-1,4,5,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-one

> <PUBCHEM_IUPAC_NAME>
10,13-dimethyl-1,4,5,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-one

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
10,13-dimethyl-1,4,5,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-one

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
10,13-dimethyl-1,4,5,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-one

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C19H28O/c1-18-11-4-3-5-13(18)6-7-14-15-8-9-17(20)19(15,2)12-10-16(14)18/h3-4,13-16H,5-12H2,1-2H3

> <PUBCHEM_IUPAC_INCHIKEY>
ISJVDMWNISUFRJ-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3>
4.9

> <PUBCHEM_EXACT_MASS>
272.214015512

> <PUBCHEM_MOLECULAR_FORMULA>
C19H28O

> <PUBCHEM_MOLECULAR_WEIGHT>
272.4

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC12CCC3C(C1CCC2=O)CCC4C3(CC=CC4)C

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC12CCC3C(C1CCC2=O)CCC4C3(CC=CC4)C

> <PUBCHEM_CACTVS_TPSA>
17.1

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
272.214015512

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
20

> <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>
2  8  3
3  9  3
4  12  3
5  16  3
6  18  3
7  11  3

$$$$