10360683
  -OEChem-04252412182D

 58 62  0     1  0  0  0  0  0999 V2000
    8.6500    1.6172    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.6904    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3931   -0.6381    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.3931    0.3619    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.5271   -1.1381    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.6610   -0.6381    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.5271    0.8619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3393    0.6667    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.3393   -0.9428    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6610    0.3619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7510   -1.1449    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.9229   -0.1381    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5431   -2.1796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3931    1.3619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6451   -2.7073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7430   -2.1865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7587   -0.1449    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8242   -0.5808    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8076   -2.7362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8763   -1.1088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6285    1.8234    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8680   -2.1937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0368    2.7362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3705    1.1530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0311    2.6300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2373    1.6515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4830   -1.4833    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2664   -1.5574    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3972   -0.2131    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9256    1.3369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1285    1.3369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9018    1.1060    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0883   -1.5097    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8767   -1.2520    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4490    0.9445    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0504    0.2543    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3838   -0.5528    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3838    0.2767    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7612   -2.7600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1523   -2.0641    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0131    1.3619    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3931    1.9819    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7731    1.3619    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2478   -3.1833    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0460   -3.1802    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3787   -0.1497    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7635    0.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1388   -0.1402    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8361    0.0390    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8100   -3.3562    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3430   -0.7926    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1667    3.3425    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4475    2.9288    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3046    0.5365    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.6478    2.6937    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0322    3.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.4885    1.0846    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.8273    1.8421    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  8  1  1  1  0  0  0
  1 21  1  0  0  0  0
  2 22  2  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3  9  1  0  0  0  0
  3 27  1  6  0  0  0
  4  7  1  0  0  0  0
  4  8  1  0  0  0  0
  4 14  1  1  0  0  0
  5  6  1  0  0  0  0
  5 13  1  0  0  0  0
  5 28  1  1  0  0  0
  6 10  1  0  0  0  0
  6 11  1  0  0  0  0
  6 29  1  6  0  0  0
  7 10  1  0  0  0  0
  7 30  1  0  0  0  0
  7 31  1  0  0  0  0
  8 12  1  0  0  0  0
  8 32  1  0  0  0  0
  9 12  1  0  0  0  0
  9 33  1  0  0  0  0
  9 34  1  0  0  0  0
 10 35  1  0  0  0  0
 10 36  1  0  0  0  0
 11 16  1  0  0  0  0
 11 17  1  1  0  0  0
 11 18  1  0  0  0  0
 12 37  1  0  0  0  0
 12 38  1  0  0  0  0
 13 15  1  0  0  0  0
 13 39  1  0  0  0  0
 13 40  1  0  0  0  0
 14 41  1  0  0  0  0
 14 42  1  0  0  0  0
 14 43  1  0  0  0  0
 15 16  1  0  0  0  0
 15 44  1  0  0  0  0
 15 45  1  0  0  0  0
 16 19  2  0  0  0  0
 17 46  1  0  0  0  0
 17 47  1  0  0  0  0
 17 48  1  0  0  0  0
 18 20  2  0  0  0  0
 18 49  1  0  0  0  0
 19 22  1  0  0  0  0
 19 50  1  0  0  0  0
 20 22  1  0  0  0  0
 20 51  1  0  0  0  0
 21 23  1  0  0  0  0
 21 24  2  0  0  0  0
 23 25  1  0  0  0  0
 23 52  1  0  0  0  0
 23 53  1  0  0  0  0
 24 26  1  0  0  0  0
 24 54  1  0  0  0  0
 25 26  1  0  0  0  0
 25 55  1  0  0  0  0
 25 56  1  0  0  0  0
 26 57  1  0  0  0  0
 26 58  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
10360683

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
714

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
2

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
2

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcfB4MAAAAAAAAAAAAAAAAAAAAYIAAAAwYIAAAAAAAGDAAAAAGgAAAAAADxSggAICAAAABACIAqBSAAAACAAgIAAICAAAAEgAAAIAAQACAAAEgAAIAYOAwPAPgAAAAAAAAACAAAQAACAAAIAADAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
(8R,9S,10R,13S,14S,17S)-17-(cyclopenten-1-yloxy)-10,13-dimethyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-one

> <PUBCHEM_IUPAC_CAS_NAME>
(8R,9S,10R,13S,14S,17S)-17-(1-cyclopentenyloxy)-10,13-dimethyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-one

> <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-(cyclopenten-1-yloxy)-10,13-dimethyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-one

> <PUBCHEM_IUPAC_NAME>
(8R,9S,10R,13S,14S,17S)-17-(cyclopenten-1-yloxy)-10,13-dimethyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-one

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
(8R,9S,10R,13S,14S,17S)-17-(cyclopenten-1-yloxy)-10,13-dimethyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-one

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(8R,9S,10R,13S,14S,17S)-17-(cyclopenten-1-yloxy)-10,13-dimethyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-one

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C24H32O2/c1-23-13-11-17(25)15-16(23)7-8-19-20-9-10-22(26-18-5-3-4-6-18)24(20,2)14-12-21(19)23/h5,11,13,15,19-22H,3-4,6-10,12,14H2,1-2H3/t19-,20-,21-,22-,23-,24-/m0/s1

> <PUBCHEM_IUPAC_INCHIKEY>
IUVKMZGDUIUOCP-BTNSXGMBSA-N

> <PUBCHEM_XLOGP3_AA>
5.4

> <PUBCHEM_EXACT_MASS>
352.240230259

> <PUBCHEM_MOLECULAR_FORMULA>
C24H32O2

> <PUBCHEM_MOLECULAR_WEIGHT>
352.5

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC12CCC3C(C1CCC2OC4=CCCC4)CCC5=CC(=O)C=CC35C

> <PUBCHEM_OPENEYE_ISO_SMILES>
C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2OC4=CCCC4)CCC5=CC(=O)C=C[C@]35C

> <PUBCHEM_CACTVS_TPSA>
26.3

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
352.240230259

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
26

> <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>
8  1  5
11  17  5
3  27  6
4  14  5
5  28  5
6  29  6

$$$$