76
  DSViewer          3D                             0

 49 52  0  0  0  0  0  0  0  0999 V2000
   10.5231    2.6916   -0.4580 O   0  0  0  0  0  0  0  0  0  1
    0.9839   -2.8864    0.4623 O   0  0  0  0  0  0  0  0  0  2
    6.1269   -0.1532    0.1958 C   0  0  3  0  0  0  0  0  0  3
    7.1992   -0.8620   -0.4479 C   0  0  3  0  0  0  0  0  0  4
    8.6276   -0.1711   -0.1717 C   0  0  3  0  0  0  0  0  0  5
    8.5596    1.4130   -0.0403 C   0  0  3  0  0  0  0  0  0  6
    4.7282   -0.8086   -0.0791 C   0  0  3  0  0  0  0  0  0  7
    6.1469    1.3520   -0.5386 C   0  0  0  0  0  0  0  0  0  8
    7.6341    1.9432   -1.0318 C   0  0  0  0  0  0  0  0  0  9
    9.4408   -0.3696    1.1120 C   0  0  0  0  0  0  0  0  0 10
    7.2869   -2.3367    0.0285 C   0  0  0  0  0  0  0  0  0 11
    4.7537   -2.2939    0.2855 C   0  0  0  0  0  0  0  0  0 12
    3.6251   -0.0851    0.7547 C   0  0  0  0  0  0  0  0  0 13
    9.9775    1.6865    0.0095 C   0  0  0  0  0  0  0  0  0 14
   10.6889    0.5655    0.7427 C   0  0  0  0  0  0  0  0  0 15
    5.9096   -2.9802    0.2781 C   0  0  0  0  0  0  0  0  0 16
    8.0592    2.0164    1.3541 C   0  0  0  0  0  0  0  0  0 17
    4.4193   -0.6757   -1.6390 C   0  0  0  0  0  0  0  0  0 18
    3.4396   -3.0384    0.6323 C   0  0  0  0  0  0  0  0  0 19
    2.2241   -0.8122    0.8129 C   0  0  0  0  0  0  0  0  0 20
    2.2079   -2.2221    0.1555 C   0  0  3  0  0  0  0  0  0 21
    6.3653   -0.1528    1.2669 H   0  0  0  0  0  0  0  0  0 22
    6.9445   -0.7747   -1.4993 H   0  0  0  0  0  0  0  0  0 23
    9.2436   -0.5357   -1.0046 H   0  0  0  0  0  0  0  0  0 24
    5.5080    1.2953   -1.4199 H   0  0  0  0  0  0  0  0  0 25
    5.7279    2.0675    0.1690 H   0  0  0  0  0  0  0  0  0 26
    7.6406    3.0331   -1.0263 H   0  0  0  0  0  0  0  0  0 27
    7.8845    1.5828   -2.0295 H   0  0  0  0  0  0  0  0  0 28
    8.9086   -0.0157    1.9949 H   0  0  0  0  0  0  0  0  0 29
    9.7343   -1.4094    1.2564 H   0  0  0  0  0  0  0  0  0 30
    7.8061   -2.9163   -0.7348 H   0  0  0  0  0  0  0  0  0 31
    7.8559   -2.3665    0.9577 H   0  0  0  0  0  0  0  0  0 32
    3.9913    0.0185    1.7761 H   0  0  0  0  0  0  0  0  0 33
    3.4717    0.9032    0.3211 H   0  0  0  0  0  0  0  0  0 34
   11.1998    0.9274    1.6349 H   0  0  0  0  0  0  0  0  0 35
   11.4019    0.0509    0.0986 H   0  0  0  0  0  0  0  0  0 36
    5.8701   -4.0543    0.4591 H   0  0  0  0  0  0  0  0  0 37
    8.0629    3.1051    1.3017 H   0  0  0  0  0  0  0  0  0 38
    8.7257    1.6893    2.1522 H   0  0  0  0  0  0  0  0  0 39
    7.0476    1.6664    1.5598 H   0  0  0  0  0  0  0  0  0 40
    3.4503   -1.1244   -1.8575 H   0  0  0  0  0  0  0  0  0 41
    5.1938   -1.1896   -2.2083 H   0  0  0  0  0  0  0  0  0 42
    4.4024    0.3779   -1.9181 H   0  0  0  0  0  0  0  0  0 43
    3.4378   -4.0105    0.1392 H   0  0  0  0  0  0  0  0  0 44
    3.3809   -3.1778    1.7117 H   0  0  0  0  0  0  0  0  0 45
    1.9385   -0.9201    1.8593 H   0  0  0  0  0  0  0  0  0 46
    1.4935   -0.1874    0.2989 H   0  0  0  0  0  0  0  0  0 47
    2.2814   -2.1156   -0.9291 H   0  0  0  0  0  0  0  0  0 48
    0.2260   -2.3461    0.1257 H   0  0  0  0  0  0  0  0  0 49
  1 14  2  0  0  0
  2 21  1  0  0  0
  2 49  1  0  0  0
  3  4  1  0  0  0
  3  7  1  0  0  0
  3  8  1  0  0  0
  3 22  1  0  0  0
  4  5  1  0  0  0
  4 11  1  0  0  0
  4 23  1  0  0  0
  5  6  1  0  0  0
  5 10  1  0  0  0
  5 24  1  0  0  0
  6  9  1  0  0  0
  6 14  1  0  0  0
  6 17  1  0  0  0
  7 12  1  0  0  0
  7 13  1  0  0  0
  7 18  1  0  0  0
  8  9  1  0  0  0
  8 25  1  0  0  0
  8 26  1  0  0  0
  9 27  1  0  0  0
  9 28  1  0  0  0
 10 15  1  0  0  0
 10 29  1  0  0  0
 10 30  1  0  0  0
 11 16  1  0  0  0
 11 31  1  0  0  0
 11 32  1  0  0  0
 12 16  2  0  0  0
 12 19  1  0  0  0
 13 20  1  0  0  0
 13 33  1  0  0  0
 13 34  1  0  0  0
 14 15  1  0  0  0
 15 35  1  0  0  0
 15 36  1  0  0  0
 16 37  1  0  0  0
 17 38  1  0  0  0
 17 39  1  0  0  0
 17 40  1  0  0  0
 18 41  1  0  0  0
 18 42  1  0  0  0
 18 43  1  0  0  0
 19 21  1  0  0  0
 19 44  1  0  0  0
 19 45  1  0  0  0
 20 21  1  0  0  0
 20 46  1  0  0  0
 20 47  1  0  0  0
 21 48  1  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
76

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
508

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
2

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB4MAAAAAAAAAAAAAAAAAAAAYAAAAAwYIAAAAAAAGCAAAAAGgAACAAADxSggAICAAAAAgCIAqBSAAAAAAAgAAAACAEAAAgAEBIAAQAAQAAEwAAIAAOIyPCPgAAAAAAAAADAAAQAACAAAAAACAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
3-hydroxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-one

> <PUBCHEM_IUPAC_CAS_NAME>
3-hydroxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-one

> <PUBCHEM_IUPAC_NAME>
3-hydroxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-one

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
10,13-dimethyl-3-oxidanyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-one

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
3-hydroxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-one

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C19H28O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h3,13-16,20H,4-11H2,1-2H3

> <PUBCHEM_IUPAC_INCHIKEY>
FMGSKLZLMKYGDP-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3>
3.2

> <PUBCHEM_EXACT_MASS>
288.209

> <PUBCHEM_MOLECULAR_FORMULA>
C19H28O2

> <PUBCHEM_MOLECULAR_WEIGHT>
288.424

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC12CCC3C(C1CCC2=O)CC=C4C3(CCC(C4)O)C

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC12CCC3C(C1CCC2=O)CC=C4C3(CCC(C4)O)C

> <PUBCHEM_CACTVS_TPSA>
37.3

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
288.209

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
21

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
6

> <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>
2

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
21  48  3
3  22  3
4  23  3
5  24  3
6  17  3
7  18  3

$$$$
