196435
 OpenBabel05082101102D

 42 44  0  0  1  0  0  0  0  0999 V2000
    2.5836   -1.5894    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3958    0.2154    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.2619   -0.2846    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.5298   -0.2846    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.1719    0.2222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5298   -1.2846    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.3798    1.2569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2619   -1.2846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3958   -1.7846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1799    1.2638    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2778    1.7846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5836    0.0201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5298    0.7154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.7846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1718    0.2107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6618   -0.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7964   -0.5988    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0668   -0.5946    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4642   -1.9012    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1618    1.8373    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7706    1.1414    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4739   -1.8672    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8725   -1.1770    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9973   -2.2596    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7944   -2.2596    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7899    1.1530    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3935    1.8459    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6751    2.2606    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8769    2.2575    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8346    0.5870    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0462    0.3293    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8398    1.2523    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9929    1.0254    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2198    0.1784    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5391   -0.3699    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5391   -1.1994    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1646   -0.4093    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7918    0.2035    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1790    0.8306    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1213   -0.9533    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9656   -1.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2023   -0.3458    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1 14  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  7  1  0  0  0  0
  2 13  1  0  0  0  0
  3  5  1  0  0  0  0
  3  8  1  0  0  0  0
  3 17  1  0  0  0  0
  4  6  1  0  0  0  0
  4 12  1  0  0  0  0
  4 18  1  0  0  0  0
  5 10  1  0  0  0  0
  5 15  1  0  0  0  0
  5 16  1  0  0  0  0
  6  9  1  0  0  0  0
  6 19  1  0  0  0  0
  7 11  1  0  0  0  0
  7 20  1  0  0  0  0
  7 21  1  0  0  0  0
  8  9  1  0  0  0  0
  8 22  1  0  0  0  0
  8 23  1  0  0  0  0
  9 24  1  0  0  0  0
  9 25  1  0  0  0  0
 10 11  1  0  0  0  0
 10 26  1  0  0  0  0
 10 27  1  0  0  0  0
 11 28  1  0  0  0  0
 11 29  1  0  0  0  0
 12 14  1  0  0  0  0
 12 30  1  0  0  0  0
 12 31  1  0  0  0  0
 13 32  1  0  0  0  0
 13 33  1  0  0  0  0
 13 34  1  0  0  0  0
 14 35  1  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
M  END
>  <PUBCHEM_COMPOUND_CID>
196435

>  <PUBCHEM_COMPOUND_CANONICALIZED>
1

>  <PUBCHEM_CACTVS_COMPLEXITY>
283

>  <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
1

>  <PUBCHEM_CACTVS_HBOND_DONOR>
0

>  <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

>  <PUBCHEM_CACTVS_SUBSKEYS>
AAADceBwIAAAAAAAAAAAAAAAAAAAASAAAAAwYAAAAAAAAEjAAAAAGgAAAAAADxSggAICAAAABAAAAAAAAAAAAAAAAAAAAAAAAAAAAAIAAAACAAAEAAAAAAGAwPAPgAAAAAAAAABAAAYAADAAAAAAAAAAAA==

>  <PUBCHEM_IUPAC_OPENEYE_NAME>
6,6,9a-trimethyl-1,2,3a,4,5,5a,7,8,9,9b-decahydrobenzo[e]benzofuran

>  <PUBCHEM_IUPAC_CAS_NAME>
6,6,9a-trimethyl-1,2,3a,4,5,5a,7,8,9,9b-decahydrobenzo[e]benzofuran

>  <PUBCHEM_IUPAC_NAME_MARKUP>
6,6,9<I>a</I>-trimethyl-1,2,3<I>a</I>,4,5,5<I>a</I>,7,8,9,9<I>b</I>-decahydrobenzo[e][1]benzofuran

>  <PUBCHEM_IUPAC_NAME>
6,6,9a-trimethyl-1,2,3a,4,5,5a,7,8,9,9b-decahydrobenzo[e][1]benzofuran

>  <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
6,6,9a-trimethyl-1,2,3a,4,5,5a,7,8,9,9b-decahydrobenzo[e][1]benzofuran

>  <PUBCHEM_IUPAC_TRADITIONAL_NAME>
6,6,9a-trimethyl-1,2,3a,4,5,5a,7,8,9,9b-decahydrobenzo[e]benzofuran

>  <PUBCHEM_IUPAC_INCHI>
InChI=1S/C15H26O/c1-14(2)8-4-9-15(3)11-7-10-16-12(11)5-6-13(14)15/h11-13H,4-10H2,1-3H3

>  <PUBCHEM_IUPAC_INCHIKEY>
IPEPBOBQYDJNON-UHFFFAOYSA-N

>  <PUBCHEM_XLOGP3_AA>
4.5

>  <PUBCHEM_EXACT_MASS>
222.198365

>  <PUBCHEM_MOLECULAR_FORMULA>
C15H26O

>  <PUBCHEM_MOLECULAR_WEIGHT>
222.37

>  <PUBCHEM_OPENEYE_CAN_SMILES>
CC1(CCCC2(C1CCC3C2CCO3)C)C

>  <PUBCHEM_OPENEYE_ISO_SMILES>
CC1(CCCC2(C1CCC3C2CCO3)C)C

>  <PUBCHEM_CACTVS_TPSA>
9.2

>  <PUBCHEM_MONOISOTOPIC_WEIGHT>
222.198365

>  <PUBCHEM_TOTAL_CHARGE>
0

>  <PUBCHEM_HEAVY_ATOM_COUNT>
16

>  <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

>  <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
4

>  <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  13  3
3  8  3
4  12  3
6  9  3

$$$$
