442399
  -OEChem-04052407192D

 38 39  0     1  0  0  0  0  0999 V2000
    2.0000   -0.1751    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000   -0.1751    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.5878    0.6339    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5878   -0.9841    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5000   -1.0412    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.5388    0.3249    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.5388   -0.6751    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5000    0.6909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000   -1.0412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000   -1.9072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3479    0.9127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000    0.6909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000   -0.1751    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    1.5569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2614    0.5059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2433    1.9072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8400    1.2003    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0508    0.9439    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0508   -1.2942    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8400   -1.5505    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1200   -1.0412    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4418    0.9372    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6678   -1.2816    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1554   -0.6103    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9174   -1.2532    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6077   -1.6517    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4631   -2.2172    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3100   -2.4441    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5369   -1.5972    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1900    1.2278    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5369    1.2469    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3100    2.0939    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4631    1.8669    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0092   -0.0605    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8278    0.2537    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5136    1.0723    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7449    2.2716    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6769    2.1594    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 13  2  0  0  0  0
  2  3  1  1  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  8  1  0  0  0  0
  3  6  1  0  0  0  0
  3 17  1  0  0  0  0
  3 18  1  0  0  0  0
  4  7  1  0  0  0  0
  4 19  1  0  0  0  0
  4 20  1  0  0  0  0
  5  9  1  0  0  0  0
  5 10  1  6  0  0  0
  5 21  1  0  0  0  0
  6  7  1  0  0  0  0
  6 11  1  6  0  0  0
  6 22  1  0  0  0  0
  7 23  1  0  0  0  0
  7 24  1  0  0  0  0
  8 12  2  0  0  0  0
  8 14  1  0  0  0  0
  9 13  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
 10 29  1  0  0  0  0
 11 15  1  0  0  0  0
 11 16  2  0  0  0  0
 12 13  1  0  0  0  0
 12 30  1  0  0  0  0
 14 31  1  0  0  0  0
 14 32  1  0  0  0  0
 14 33  1  0  0  0  0
 15 34  1  0  0  0  0
 15 35  1  0  0  0  0
 15 36  1  0  0  0  0
 16 37  1  0  0  0  0
 16 38  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
442399

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
364

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
1

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
1

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceBwIAAAAAAAAAAAAAAAAAAAAYAAAAAgAAAAAAAAAAAAAAAAGgAAAAAADwSAgAACAAAAAACIAqBSAAAAAAAgAAAACAEAAEgAABIAAQAAAAAAgAAIAQMIiMCPgAAAAAAAAAAAAAAAAAAAAQAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
(3R,5S,6R)-3-isopropenyl-6,10-dimethyl-spiro[4.5]dec-9-en-8-one

> <PUBCHEM_IUPAC_CAS_NAME>
(3R,5S,6R)-6,10-dimethyl-3-(1-methylethenyl)-8-spiro[4.5]dec-9-enone

> <PUBCHEM_IUPAC_NAME_MARKUP>
(3<I>R</I>,5<I>S</I>,6<I>R</I>)-6,10-dimethyl-3-prop-1-en-2-ylspiro[4.5]dec-9-en-8-one

> <PUBCHEM_IUPAC_NAME>
(3R,5S,6R)-6,10-dimethyl-3-prop-1-en-2-ylspiro[4.5]dec-9-en-8-one

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
(3R,5S,6R)-6,10-dimethyl-3-prop-1-en-2-yl-spiro[4.5]dec-9-en-8-one

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(3R,5S,6R)-3-isopropenyl-6,10-dimethyl-spiro[4.5]dec-9-en-8-one

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C15H22O/c1-10(2)13-5-6-15(9-13)11(3)7-14(16)8-12(15)4/h7,12-13H,1,5-6,8-9H2,2-4H3/t12-,13-,15-/m1/s1

> <PUBCHEM_IUPAC_INCHIKEY>
FGCUSSRGQNHZRW-UMVBOHGHSA-N

> <PUBCHEM_XLOGP3_AA>
4

> <PUBCHEM_EXACT_MASS>
218.167065321

> <PUBCHEM_MOLECULAR_FORMULA>
C15H22O

> <PUBCHEM_MOLECULAR_WEIGHT>
218.33

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1CC(=O)C=C(C12CCC(C2)C(=C)C)C

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

> <PUBCHEM_CACTVS_TPSA>
17.1

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
218.167065321

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
16

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
3

> <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  3  5
5  10  6
6  11  6

$$$$