6432482
  -OEChem-04232411202D

 61 64  0     1  0  0  0  0  0999 V2000
    9.6285    1.7906    0.0000 Si  0  0  0  0  0  0  0  0  0  0  0  0
    8.6500    1.5844    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.7232    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3931   -0.6709    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.3931    0.3291    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.5271   -1.1709    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.6610   -0.6709    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.7510   -1.1778    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.5271    0.8291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3393    0.6338    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.6610    0.3291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3393   -0.9756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5431   -2.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9229   -0.1709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7430   -2.2194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3931    1.3291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6451   -2.7402    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8242   -0.6137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.8076   -2.7691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8680   -2.2266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6070    1.9968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4222    2.7691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8347    0.8121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4587   -1.2874    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0664   -1.4768    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1980   -0.3609    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9256    1.3040    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1285    1.3040    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9018    1.0732    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4490    0.9117    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0504    0.2214    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0883   -1.5425    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8767   -1.2849    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7612   -2.7928    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1523   -2.0969    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3838   -0.5856    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3838    0.2438    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0131    1.3291    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3931    1.9491    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7731    1.3291    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2478   -3.2161    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0460   -3.2131    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2324   -0.1470    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4343   -0.1316    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.7635    0.4422    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1388   -0.1730    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6718   -0.5563    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    3.8100   -3.3891    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7348    1.3901    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2137    2.1246    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4791    2.6035    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0289    2.8969    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    8.8156    2.6412    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    9.9626    0.2054    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4414    0.9399    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 23  1  0  0  0  0
  1 24  1  0  0  0  0
  1 25  1  0  0  0  0
 10  2  1  1  0  0  0
  3 22  2  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4 12  1  0  0  0  0
  4 26  1  0  0  0  0
  5  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 16  1  0  0  0  0
  6  7  1  0  0  0  0
  6 13  1  0  0  0  0
  6 27  1  0  0  0  0
  7  8  1  0  0  0  0
  7 11  1  0  0  0  0
  7 28  1  0  0  0  0
  8 15  1  0  0  0  0
  8 18  1  0  0  0  0
  8 19  1  0  0  0  0
  9 11  1  0  0  0  0
  9 29  1  0  0  0  0
  9 30  1  0  0  0  0
 10 14  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 17  1  0  0  0  0
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 23 54  1  0  0  0  0
 23 55  1  0  0  0  0
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 24 57  1  0  0  0  0
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 25 60  1  0  0  0  0
 25 61  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
6432482

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
604

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
2

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
2

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcfB4MAgAAAAAAAAAAAAAAAAAAYAAAAAwYIAAAAAAAGDAAAAAGhAAAEAADxSggAJCAAAAAAGIAqBSAAAAAAAgAAAACAEAAEgAABIAAQAAAAAEgAAIAQOIyPCPgAAAAAAAAACAAAQAACAAAIAADAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
(17S)-10,13-dimethyl-17-trimethylsilyloxy-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one

> <PUBCHEM_IUPAC_CAS_NAME>
(17S)-10,13-dimethyl-17-trimethylsilyloxy-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one

> <PUBCHEM_IUPAC_NAME_MARKUP>
(17<I>S</I>)-10,13-dimethyl-17-trimethylsilyloxy-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one

> <PUBCHEM_IUPAC_NAME>
(17S)-10,13-dimethyl-17-trimethylsilyloxy-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
(17S)-10,13-dimethyl-17-trimethylsilyloxy-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(17S)-10,13-dimethyl-17-trimethylsilyloxy-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C22H36O2Si/c1-21-12-10-16(23)14-15(21)6-7-17-18-8-9-20(24-25(3,4)5)22(18,2)13-11-19(17)21/h14,17-20H,6-13H2,1-5H3/t17?,18?,19?,20-,21?,22?/m0/s1

> <PUBCHEM_IUPAC_INCHIKEY>
HNZDTAXZHUDITM-CEXYIDGCSA-N

> <PUBCHEM_EXACT_MASS>
360.248456921

> <PUBCHEM_MOLECULAR_FORMULA>
C22H36O2Si

> <PUBCHEM_MOLECULAR_WEIGHT>
360.6

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC12CCC3C(C1CCC2O[Si](C)(C)C)CCC4=CC(=O)CCC34C

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC12CCC3C(C1CC[C@@H]2O[Si](C)(C)C)CCC4=CC(=O)CCC34C

> <PUBCHEM_CACTVS_TPSA>
26.3

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
360.248456921

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
25

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
1

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
5

> <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>
10  2  5
4  12  3
5  16  3
6  13  3
7  11  3
8  19  3

$$$$