92979
  -OEChem-05072400592D

 46 49  0     1  0  0  0  0  0999 V2000
    2.0000   -2.0032    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5271   -0.4509    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.6610    0.0491    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.3931    0.0491    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.3931    1.0491    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.7510   -0.4578    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.6610    1.0491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5271    1.5491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5431   -1.4924    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3393   -0.2556    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7430   -1.4994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6451   -2.0202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8242    0.1063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3393    1.3538    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3931    2.0491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7587    0.5422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9229    0.5491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8763   -0.4216    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8076   -2.0491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8680   -1.5066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2664   -0.8702    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3972    0.4741    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4830   -0.7961    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4490    1.6317    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0504    0.9414    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9256    2.0240    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1285    2.0240    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7612   -2.0728    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1523   -1.3769    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0883   -0.8226    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8767   -0.5649    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2478   -2.4962    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0460   -2.4931    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2324    0.5730    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4343    0.5884    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5319    1.9431    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0131    2.0491    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3931    2.6691    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7731    2.0491    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3787    0.5374    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7635    1.1622    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1388    0.5470    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5429    0.5491    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6718    0.1637    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2647   -0.5230    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8100   -2.6691    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 20  2  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  9  1  0  0  0  0
  2 21  1  1  0  0  0
  3  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3 22  1  6  0  0  0
  4  5  1  0  0  0  0
  4 10  1  0  0  0  0
  4 23  1  6  0  0  0
  5  8  1  0  0  0  0
  5 14  1  0  0  0  0
  5 15  1  1  0  0  0
  6 11  1  0  0  0  0
  6 13  1  0  0  0  0
  6 16  1  1  0  0  0
  7  8  1  0  0  0  0
  7 24  1  0  0  0  0
  7 25  1  0  0  0  0
  8 26  1  0  0  0  0
  8 27  1  0  0  0  0
  9 12  1  0  0  0  0
  9 28  1  0  0  0  0
  9 29  1  0  0  0  0
 10 17  1  0  0  0  0
 10 30  1  0  0  0  0
 10 31  1  0  0  0  0
 11 12  1  0  0  0  0
 11 19  2  0  0  0  0
 12 32  1  0  0  0  0
 12 33  1  0  0  0  0
 13 18  1  0  0  0  0
 13 34  1  0  0  0  0
 13 35  1  0  0  0  0
 14 17  2  0  0  0  0
 14 36  1  0  0  0  0
 15 37  1  0  0  0  0
 15 38  1  0  0  0  0
 15 39  1  0  0  0  0
 16 40  1  0  0  0  0
 16 41  1  0  0  0  0
 16 42  1  0  0  0  0
 17 43  1  0  0  0  0
 18 20  1  0  0  0  0
 18 44  1  0  0  0  0
 18 45  1  0  0  0  0
 19 20  1  0  0  0  0
 19 46  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
92979

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
514

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
1

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB4IAAAAAAAAAAAAAAAAAAAAQAAAAAwYIAAAAAAAEDAAAAAGgAAAAAADwSAgAACAAAAAACIAqBSAAAAAAAgAAAICAEAAEgAABIAAQAAAAAAgAAIAQMIiMCPgAAAAAAAAACAAAQAACAAAAAAAAAAAA==

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

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

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

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

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

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

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C19H26O/c1-18-9-3-4-16(18)15-6-5-13-12-14(20)7-11-19(13,2)17(15)8-10-18/h3,9,12,15-17H,4-8,10-11H2,1-2H3/t15-,16-,17-,18-,19-/m0/s1

> <PUBCHEM_IUPAC_INCHIKEY>
HNDHDMOSWUAEAW-VMXHOPILSA-N

> <PUBCHEM_XLOGP3_AA>
4.5

> <PUBCHEM_EXACT_MASS>
270.198365449

> <PUBCHEM_MOLECULAR_FORMULA>
C19H26O

> <PUBCHEM_MOLECULAR_WEIGHT>
270.4

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC12CCC3C(C1CC=C2)CCC4=CC(=O)CCC34C

> <PUBCHEM_OPENEYE_ISO_SMILES>
C[C@]12CC[C@H]3[C@H]([C@@H]1CC=C2)CCC4=CC(=O)CC[C@]34C

> <PUBCHEM_CACTVS_TPSA>
17.1

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
270.198365449

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
20

> <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>
2  21  5
3  22  6
4  23  6
5  15  5
6  16  5

$$$$