150910
  -OEChem-04052407582D

 45 48  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
    6.5469   -2.1100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5251   -0.0785    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.7931   -0.0785    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.5251    0.9215    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.6591   -0.5785    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.8831   -0.5854    0.0000 C   0  0  2  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
    5.6591    1.4215    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
    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
    5.6752   -1.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8751   -1.6270    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
    6.5251    1.9215    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
    4.7771   -2.1478    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
    2.9396   -2.1767    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
    6.6151   -0.9238    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5292    0.3465    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3985   -0.9979    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
    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
    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
    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
    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
    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
    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
    4.7795   -2.7678    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8038    0.0360    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3967   -0.6506    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9420   -2.7967    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 11  2  0  0  0  0
  2 13  2  0  0  0  0
  3  5  1  0  0  0  0
  3  6  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  7  1  0  0  0  0
  4  8  1  0  0  0  0
  4 23  1  6  0  0  0
  5  9  1  0  0  0  0
  5 11  1  0  0  0  0
  5 16  1  1  0  0  0
  6 13  1  0  0  0  0
  6 24  1  1  0  0  0
  7 14  1  0  0  0  0
  7 15  1  0  0  0  0
  7 17  1  1  0  0  0
  8  9  1  0  0  0  0
  8 25  1  0  0  0  0
  8 26  1  0  0  0  0
  9 27  1  0  0  0  0
  9 28  1  0  0  0  0
 10 12  1  0  0  0  0
 10 29  1  0  0  0  0
 10 30  1  0  0  0  0
 11 12  1  0  0  0  0
 12 31  1  0  0  0  0
 12 32  1  0  0  0  0
 13 18  1  0  0  0  0
 14 18  2  0  0  0  0
 14 20  1  0  0  0  0
 15 19  1  0  0  0  0
 15 33  1  0  0  0  0
 15 34  1  0  0  0  0
 16 35  1  0  0  0  0
 16 36  1  0  0  0  0
 16 37  1  0  0  0  0
 17 38  1  0  0  0  0
 17 39  1  0  0  0  0
 17 40  1  0  0  0  0
 18 41  1  0  0  0  0
 19 21  1  0  0  0  0
 19 42  1  0  0  0  0
 19 43  1  0  0  0  0
 20 21  2  0  0  0  0
 20 44  1  0  0  0  0
 21 45  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
150910

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
584

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
2

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB4MAAAAAAAAAAAAAAAAAAAAYAAAAAwQIAAAAAAAGCAAAAAGgAAAAAADwSAgAACAAAAAACIAqBSAAAAAAAgAAAICAEAAEgIABIAAQAAAAAAgAAIgQMIisCvgAAAAAAAAACAAAQAACAAAAAACAAAAA==

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

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

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

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

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

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

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C19H24O2/c1-18-9-4-3-5-12(18)11-15(20)17-13-6-7-16(21)19(13,2)10-8-14(17)18/h3,5,11,13-14,17H,4,6-10H2,1-2H3/t13-,14-,17-,18-,19-/m0/s1

> <PUBCHEM_IUPAC_INCHIKEY>
VHDOTNMSJDQVEE-ZENYQMPMSA-N

> <PUBCHEM_XLOGP3_AA>
3.2

> <PUBCHEM_EXACT_MASS>
284.177630004

> <PUBCHEM_MOLECULAR_FORMULA>
C19H24O2

> <PUBCHEM_MOLECULAR_WEIGHT>
284.4

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC12CCC3C(C1CCC2=O)C(=O)C=C4C3(CCC=C4)C

> <PUBCHEM_OPENEYE_ISO_SMILES>
C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)C(=O)C=C4[C@@]3(CCC=C4)C

> <PUBCHEM_CACTVS_TPSA>
34.1

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
284.177630004

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
21

> <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>
3  22  6
4  23  6
5  16  5
6  24  5
7  17  5

$$$$