13765
 OpenBabel05082101102D

 53 56  0  0  1  0  0  0  0  0999 V2000
    8.2814    1.4410    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5251    0.5499    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.5251   -0.4501    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.6591   -0.9501    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.7931   -0.4501    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.4714    0.8547    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.6591    1.0499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4714   -0.7548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7931    0.5499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0550    0.0499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8831   -0.9569    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.6752   -1.9916    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5251    1.5499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1640    1.8062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7771   -2.5193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8751   -1.9985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9562   -0.3928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0084   -0.9208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9396   -2.5482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8344    2.5482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.0057    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6151   -1.2953    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3985   -1.3694    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5292   -0.0251    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0576    1.5249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2606    1.5249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2203   -1.3217    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0087   -1.0640    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5810    1.1325    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1825    0.4423    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5158   -0.3648    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5158    0.4647    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8995   -0.1071    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8932   -2.5720    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2843   -1.8761    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1451    1.5499    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5251    2.1699    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9051    1.5499    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7831    2.2955    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6161    1.5161    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3798   -2.9953    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1781   -2.9922    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3645    0.0738    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5663    0.0892    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8474    1.1879    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8038   -0.3355    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3967   -1.0222    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9420   -3.1682    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2944    2.1326    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2501    3.0083    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3744    2.9639    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3900   -1.8949    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7864   -2.5878    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 45  1  0  0  0  0
  2  3  1  0  0  0  0
  2  6  1  0  0  0  0
  2  7  1  0  0  0  0
  2 13  1  1  0  0  0
  3  4  1  0  0  0  0
  3  8  1  0  0  0  0
  3 22  1  6  0  0  0
  4  5  1  0  0  0  0
  4 12  1  0  0  0  0
  4 23  1  1  0  0  0
  5  9  1  0  0  0  0
  5 11  1  0  0  0  0
  5 24  1  6  0  0  0
  6  1  1  1  0  0  0
  6 10  1  0  0  0  0
  6 14  1  0  0  0  0
  7  9  1  0  0  0  0
  7 25  1  0  0  0  0
  7 26  1  0  0  0  0
  8 10  1  0  0  0  0
  8 27  1  0  0  0  0
  8 28  1  0  0  0  0
  9 29  1  0  0  0  0
  9 30  1  0  0  0  0
 10 31  1  0  0  0  0
 10 32  1  0  0  0  0
 11 16  1  0  0  0  0
 11 17  1  0  0  0  0
 11 33  1  1  0  0  0
 12 15  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
 13 38  1  0  0  0  0
 14 20  1  0  0  0  0
 14 39  1  0  0  0  0
 14 40  1  0  0  0  0
 15 16  1  0  0  0  0
 15 41  1  0  0  0  0
 15 42  1  0  0  0  0
 16 19  2  0  0  0  0
 17 18  1  0  0  0  0
 17 43  1  0  0  0  0
 17 44  1  0  0  0  0
 18 21  1  0  0  0  0
 18 46  1  0  0  0  0
 18 47  1  0  0  0  0
 19 21  1  0  0  0  0
 19 48  1  0  0  0  0
 20 49  1  0  0  0  0
 20 50  1  0  0  0  0
 20 51  1  0  0  0  0
 21 52  1  0  0  0  0
 21 53  1  0  0  0  0
M  END
>  <PUBCHEM_COMPOUND_CID>
13765

>  <PUBCHEM_COMPOUND_CANONICALIZED>
1

>  <PUBCHEM_CACTVS_COMPLEXITY>
453

>  <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
1

>  <PUBCHEM_CACTVS_HBOND_DONOR>
1

>  <PUBCHEM_CACTVS_ROTATABLE_BOND>
1

>  <PUBCHEM_CACTVS_SUBSKEYS>
AAADcfB4IAAAAAAAAAAAAAAAAAAAAYAAAAAwYIAAAAAAAGDAAAAAGgAACAAAD0SAgAACAAAAAgCAAiBCAAAAAAAgAAAACAAAAAgAAAIAAQAAQAAEgAAIAAOAwPAPgAAAAAAAAACAAAQAACAAAYAADAAAAA==

>  <PUBCHEM_IUPAC_OPENEYE_NAME>
(8R,9S,10R,13S,14S,17S)-17-ethyl-13-methyl-2,3,6,7,8,9,10,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-ol

>  <PUBCHEM_IUPAC_CAS_NAME>
(8R,9S,10R,13S,14S,17S)-17-ethyl-13-methyl-2,3,6,7,8,9,10,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-ol

>  <PUBCHEM_IUPAC_NAME_MARKUP>
(8<I>R</I>,9<I>S</I>,10<I>R</I>,13<I>S</I>,14<I>S</I>,17<I>S</I>)-17-ethyl-13-methyl-2,3,6,7,8,9,10,11,12,14,15,16-dodecahydro-1<I>H</I>-cyclopenta[a]phenanthren-17-ol

>  <PUBCHEM_IUPAC_NAME>
(8R,9S,10R,13S,14S,17S)-17-ethyl-13-methyl-2,3,6,7,8,9,10,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-ol

>  <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
(8R,9S,10R,13S,14S,17S)-17-ethyl-13-methyl-2,3,6,7,8,9,10,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-ol

>  <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(8R,9S,10R,13S,14S,17S)-17-ethyl-13-methyl-2,3,6,7,8,9,10,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-ol

>  <PUBCHEM_IUPAC_INCHI>
InChI=1S/C20H32O/c1-3-20(21)13-11-18-17-9-8-14-6-4-5-7-15(14)16(17)10-12-19(18,20)2/h6,15-18,21H,3-5,7-13H2,1-2H3/t15-,16+,17+,18-,19-,20-/m0/s1

>  <PUBCHEM_IUPAC_INCHIKEY>
AOXRBFRFYPMWLR-XGXHKTLJSA-N

>  <PUBCHEM_XLOGP3_AA>
5.1

>  <PUBCHEM_EXACT_MASS>
288.245316

>  <PUBCHEM_MOLECULAR_FORMULA>
C20H32O

>  <PUBCHEM_MOLECULAR_WEIGHT>
288.5

>  <PUBCHEM_OPENEYE_CAN_SMILES>
CCC1(CCC2C1(CCC3C2CCC4=CCCCC34)C)O

>  <PUBCHEM_OPENEYE_ISO_SMILES>
CC[C@@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CCCC[C@H]34)C)O

>  <PUBCHEM_CACTVS_TPSA>
20.2

>  <PUBCHEM_MONOISOTOPIC_WEIGHT>
288.245316

>  <PUBCHEM_TOTAL_CHARGE>
0

>  <PUBCHEM_HEAVY_ATOM_COUNT>
21

>  <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>
6  1  5
11  33  5
2  13  5
3  22  6
4  23  5
5  24  6

$$$$
