10039776
  -OEChem-05062415212D

 49 52  0     1  0  0  0  0  0999 V2000
    8.0298    2.3303    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.6955    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2735    0.4392    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.2735    1.4392    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.4075   -0.0608    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.5414    0.4392    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.8044   -0.2279    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2197    1.7440    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.4075    1.9392    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5414    1.4392    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2197    0.1345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1983   -1.0326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8033    0.9392    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2096   -1.1356    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2735    2.4392    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7763   -0.1047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3969    0.6853    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9124    2.6955    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6146   -1.9832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1620   -0.9382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5840   -1.8838    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3634   -0.4060    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0945   -0.5613    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7645    0.7839    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8060    2.4142    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0089    2.4142    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3294    2.0218    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9309    1.3316    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9687   -0.4324    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7571   -0.1747    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1974   -1.6526    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8148   -1.0986    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2642    0.5245    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2642    1.3540    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8935    2.4392    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2735    3.0592    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6535    2.4392    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9543    0.4892    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2217    0.1724    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9631    0.9380    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1442    1.2515    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8307    0.4327    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5023    2.8861    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7218    3.2855    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3224    2.5050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8738   -2.5464    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7332   -0.4904    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6474   -1.2840    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5957    2.0772    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  8  1  1  1  0  0  0
  1 49  1  0  0  0  0
  2 21  2  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3 11  1  0  0  0  0
  3 22  1  6  0  0  0
  4  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 15  1  1  0  0  0
  5  6  1  0  0  0  0
  5 12  1  0  0  0  0
  5 23  1  1  0  0  0
  6  7  1  0  0  0  0
  6 10  1  0  0  0  0
  6 24  1  6  0  0  0
  7 14  1  0  0  0  0
  7 16  1  0  0  0  0
  7 17  1  1  0  0  0
  8 13  1  0  0  0  0
  8 18  1  0  0  0  0
  9 10  1  0  0  0  0
  9 25  1  0  0  0  0
  9 26  1  0  0  0  0
 10 27  1  0  0  0  0
 10 28  1  0  0  0  0
 11 13  1  0  0  0  0
 11 29  1  0  0  0  0
 11 30  1  0  0  0  0
 12 14  1  0  0  0  0
 12 31  1  0  0  0  0
 12 32  1  0  0  0  0
 13 33  1  0  0  0  0
 13 34  1  0  0  0  0
 14 19  2  0  0  0  0
 15 35  1  0  0  0  0
 15 36  1  0  0  0  0
 15 37  1  0  0  0  0
 16 20  1  0  0  0  0
 16 38  1  0  0  0  0
 16 39  1  0  0  0  0
 17 40  1  0  0  0  0
 17 41  1  0  0  0  0
 17 42  1  0  0  0  0
 18 43  1  0  0  0  0
 18 44  1  0  0  0  0
 18 45  1  0  0  0  0
 19 21  1  0  0  0  0
 19 46  1  0  0  0  0
 20 21  1  0  0  0  0
 20 47  1  0  0  0  0
 20 48  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
10039776

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
536

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
2

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB4MAAAAAAAAAAAAAAAAAAAAYMAAAAwQAAAAAAAAGAAAAAAGgAACAAAD0SAgAACAAAAAgCIAqBSAAAAAAAgAAAACAEAAEgAABIAAQAAQAAEgAAIAQOIyPCPgAAAAAAAAACAAAQAACAAAYAADAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
(3S,3aS,5aS,5bR,10aR,10bS)-3-hydroxy-3,3a,5b-trimethyl-1,2,4,5,5a,6,7,10,10a,10b-decahydrocyclopenta[a]fluoren-8-one

> <PUBCHEM_IUPAC_CAS_NAME>
(3S,3aS,5aS,5bR,10aR,10bS)-3-hydroxy-3,3a,5b-trimethyl-1,2,4,5,5a,6,7,10,10a,10b-decahydrocyclopenta[a]fluoren-8-one

> <PUBCHEM_IUPAC_NAME_MARKUP>
(3<I>S</I>,3<I>a</I><I>S</I>,5<I>a</I><I>S</I>,5<I>b</I><I>R</I>,10<I>a</I><I>R</I>,10<I>b</I><I>S</I>)-3-hydroxy-3,3<I>a</I>,5<I>b</I>-trimethyl-1,2,4,5,5<I>a</I>,6,7,10,10<I>a</I>,10<I>b</I>-decahydrocyclopenta[a]fluoren-8-one

> <PUBCHEM_IUPAC_NAME>
(3S,3aS,5aS,5bR,10aR,10bS)-3-hydroxy-3,3a,5b-trimethyl-1,2,4,5,5a,6,7,10,10a,10b-decahydrocyclopenta[a]fluoren-8-one

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
(3S,3aS,5aS,5bR,10aR,10bS)-3,3a,5b-trimethyl-3-oxidanyl-1,2,4,5,5a,6,7,10,10a,10b-decahydrocyclopenta[a]fluoren-8-one

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(3S,3aS,5aS,5bR,10aR,10bS)-3-hydroxy-3,3a,5b-trimethyl-1,2,4,5,5a,6,7,10,10a,10b-decahydrocyclopenta[a]fluoren-8-one

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C19H28O2/c1-17-7-4-13(20)10-12(17)11-14-15(17)5-8-18(2)16(14)6-9-19(18,3)21/h10,14-16,21H,4-9,11H2,1-3H3/t14-,15+,16+,17+,18+,19+/m1/s1

> <PUBCHEM_IUPAC_INCHIKEY>
RQETXCPBBLHUIB-UGCZWRCOSA-N

> <PUBCHEM_XLOGP3>
2.8

> <PUBCHEM_EXACT_MASS>
288.208930132

> <PUBCHEM_MOLECULAR_FORMULA>
C19H28O2

> <PUBCHEM_MOLECULAR_WEIGHT>
288.4

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC12CCC(=O)C=C1CC3C2CCC4(C3CCC4(C)O)C

> <PUBCHEM_OPENEYE_ISO_SMILES>
C[C@]12CCC(=O)C=C1C[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@]4(C)O)C

> <PUBCHEM_CACTVS_TPSA>
37.3

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
288.208930132

> <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>
8  1  5
3  22  6
4  15  5
5  23  5
6  24  6
7  17  5

$$$$