73285
  -OEChem-11232503452D

 37 39  0     1  0  0  0  0  0999 V2000
    6.4783   -1.0720    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0619   -0.2673    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000   -0.7673    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.8000    0.2327    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.6660   -1.2673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321    0.2327    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.6660    0.7327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321   -0.7673    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.9061   -1.3020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9061    0.7674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.7881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000   -1.7673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.2535    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4783    0.5374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0619   -0.2673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9176    1.7673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7889    1.4880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8066    1.0827    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2675   -1.7422    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0646   -1.7422    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6220    1.0779    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0646    1.2077    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2675    1.2077    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6220   -1.6125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5124   -1.7810    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3107   -1.7718    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3891   -0.6820    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7909   -1.3718    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1800   -1.7673    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000   -2.3873    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4200   -1.7673    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7909    0.8372    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3891    0.1474    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4581    2.0711    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3843    2.0835    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3956    1.6158    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3749    1.9494    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0  0  0  0
  1 15  1  0  0  0  0
  2 15  2  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3  9  1  0  0  0  0
  3 12  1  6  0  0  0
  4  7  1  0  0  0  0
  4 10  1  0  0  0  0
  4 18  1  1  0  0  0
  5  8  1  0  0  0  0
  5 19  1  0  0  0  0
  5 20  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6 14  1  0  0  0  0
  6 21  1  1  0  0  0
  7 22  1  0  0  0  0
  7 23  1  0  0  0  0
  8 24  1  1  0  0  0
  9 11  1  0  0  0  0
  9 25  1  0  0  0  0
  9 26  1  0  0  0  0
 10 13  1  0  0  0  0
 10 16  2  0  0  0  0
 11 13  1  0  0  0  0
 11 27  1  0  0  0  0
 11 28  1  0  0  0  0
 12 29  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
 14 15  1  0  0  0  0
 14 17  2  0  0  0  0
 16 34  1  0  0  0  0
 16 35  1  0  0  0  0
 17 36  1  0  0  0  0
 17 37  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
73285

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
409

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
2

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceBwMAAAAAAAAAAAAAAAAAAAASAAAAAwYAAAAAAAAEjAAAAAGgAAAAAADxSggAICCAAABACIAgDSCAAAAAAgAAAAAAEAAEgABBIAIQACAAAEwAAAIIGKyPCPgAAAAAAAAADAAAYAADAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
(3aR,4aS,8aR,9aR)-8a-methyl-3,5-dimethylene-3a,4,4a,6,7,8,9,9a-octahydrobenzo[f]benzofuran-2-one

> <PUBCHEM_IUPAC_CAS_NAME>
(3aR,4aS,8aR,9aR)-8a-methyl-3,5-dimethylene-3a,4,4a,6,7,8,9,9a-octahydrobenzo[f]benzofuran-2-one

> <PUBCHEM_IUPAC_NAME_MARKUP>
(3<I>a</I><I>R</I>,4<I>a</I><I>S</I>,8<I>a</I><I>R</I>,9<I>a</I><I>R</I>)-8<I>a</I>-methyl-3,5-dimethylidene-3<I>a</I>,4,4<I>a</I>,6,7,8,9,9<I>a</I>-octahydrobenzo[f][1]benzofuran-2-one

> <PUBCHEM_IUPAC_NAME>
(3aR,4aS,8aR,9aR)-8a-methyl-3,5-dimethylidene-3a,4,4a,6,7,8,9,9a-octahydrobenzo[f][1]benzofuran-2-one

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
(3aR,4aS,8aR,9aR)-8a-methyl-3,5-dimethylidene-3a,4,4a,6,7,8,9,9a-octahydrobenzo[f][1]benzofuran-2-one

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(3aR,4aS,8aR,9aR)-8a-methyl-3,5-dimethylene-3a,4,4a,6,7,8,9,9a-octahydrobenzo[f]benzofuran-2-one

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C15H20O2/c1-9-5-4-6-15(3)8-13-11(7-12(9)15)10(2)14(16)17-13/h11-13H,1-2,4-8H2,3H3/t11-,12+,13-,15-/m1/s1

> <PUBCHEM_IUPAC_INCHIKEY>
CVUANYCQTOGILD-QVHKTLOISA-N

> <PUBCHEM_XLOGP3_AA>
3.4

> <PUBCHEM_EXACT_MASS>
232.146329876

> <PUBCHEM_MOLECULAR_FORMULA>
C15H20O2

> <PUBCHEM_MOLECULAR_WEIGHT>
232.32

> <PUBCHEM_SMILES>
C[C@]12CCCC(=C)[C@@H]1C[C@H]3[C@@H](C2)OC(=O)C3=C

> <PUBCHEM_CONNECTIVITY_SMILES>
CC12CCCC(=C)C1CC3C(C2)OC(=O)C3=C

> <PUBCHEM_CACTVS_TPSA>
26.3

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
232.146329876

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
17

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
4

> <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>
3  12  6
4  18  5
6  21  5
8  24  5

$$$$
