10954687
  -OEChem-05132407502D

 39 41  0     1  0  0  0  0  0999 V2000
    4.3923   -0.0882    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.2013    0.4996    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.5833    0.4996    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.7019   -1.0328    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8923    1.4506    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8923    1.4506    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0040   -0.0868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6960   -1.0320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0865    2.0328    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5892    0.5021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0103    1.0874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2828    1.4478    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7036   -2.0328    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7514   -1.3435    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.3058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7053   -0.5887    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3196   -0.3085    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1539    2.2594    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4987    1.5795    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8275    2.0672    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5700   -0.3398    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3151    0.4495    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6314   -1.6486    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3024   -1.1611    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5005    2.4944    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6710    2.4930    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3747    0.5858    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5119    1.4518    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6459    1.5889    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9727    1.9847    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7163    1.1958    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0836   -2.0339    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7047   -2.6528    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3236   -2.0318    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5588   -0.7542    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1621   -1.5361    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9440   -1.9328    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3835   -0.2400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2512   -0.8727    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1 16  1  1  0  0  0
  2  6  1  0  0  0  0
  2  7  1  0  0  0  0
  2 11  1  1  0  0  0
  3  5  1  0  0  0  0
  3 10  1  0  0  0  0
  3 17  1  6  0  0  0
  4  8  1  0  0  0  0
  4 13  1  0  0  0  0
  4 14  1  0  0  0  0
  5  6  1  0  0  0  0
  5  9  1  0  0  0  0
  5 18  1  6  0  0  0
  6 19  1  0  0  0  0
  6 20  1  0  0  0  0
  7  8  1  0  0  0  0
  7 21  1  0  0  0  0
  7 22  1  0  0  0  0
  8 23  1  0  0  0  0
  8 24  1  0  0  0  0
  9 12  1  0  0  0  0
  9 25  1  0  0  0  0
  9 26  1  0  0  0  0
 10 12  1  0  0  0  0
 10 15  2  0  0  0  0
 11 27  1  0  0  0  0
 11 28  1  0  0  0  0
 11 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
 13 34  1  0  0  0  0
 14 35  1  0  0  0  0
 14 36  1  0  0  0  0
 14 37  1  0  0  0  0
 15 38  1  0  0  0  0
 15 39  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
10954687

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
312

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
0

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceBwAAAAAAAAAAAAAAAAAAAAAYMGAAAAAAAAAAAYMAAAAAAAGAAAAAAADwCAAAACAAAAAACAAgBCAAAAAAAgAAAAAAAAAAgAAAIAAQAAAAAAgAAAAAEAgMAPgAAAAAAAAAAAAAAAAAAAAQAACAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
(3aS,3bS,6aS,7aS)-4,4,6a-trimethyl-3-methylene-1,2,3a,3b,5,6,7,7a-octahydrocyclopenta[a]pentalene

> <PUBCHEM_IUPAC_CAS_NAME>
(3aS,3bS,6aS,7aS)-4,4,6a-trimethyl-3-methylene-1,2,3a,3b,5,6,7,7a-octahydrocyclopenta[a]pentalene

> <PUBCHEM_IUPAC_NAME_MARKUP>
(3<I>a</I><I>S</I>,3<I>b</I><I>S</I>,6<I>a</I><I>S</I>,7<I>a</I><I>S</I>)-4,4,6<I>a</I>-trimethyl-3-methylidene-1,2,3<I>a</I>,3<I>b</I>,5,6,7,7<I>a</I>-octahydrocyclopenta[a]pentalene

> <PUBCHEM_IUPAC_NAME>
(3aS,3bS,6aS,7aS)-4,4,6a-trimethyl-3-methylidene-1,2,3a,3b,5,6,7,7a-octahydrocyclopenta[a]pentalene

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
(3aS,3bS,6aS,7aS)-4,4,6a-trimethyl-3-methylidene-1,2,3a,3b,5,6,7,7a-octahydrocyclopenta[a]pentalene

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(3aS,3bS,6aS,7aS)-4,4,6a-trimethyl-3-methylene-1,2,3a,3b,5,6,7,7a-octahydrocyclopenta[a]pentalene

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C15H24/c1-10-5-6-11-9-15(4)8-7-14(2,3)13(15)12(10)11/h11-13H,1,5-9H2,2-4H3/t11-,12-,13-,15-/m0/s1

> <PUBCHEM_IUPAC_INCHIKEY>
YZTNUNFLAAHBMK-ABHRYQDASA-N

> <PUBCHEM_XLOGP3_AA>
4.9

> <PUBCHEM_EXACT_MASS>
204.187800766

> <PUBCHEM_MOLECULAR_FORMULA>
C15H24

> <PUBCHEM_MOLECULAR_WEIGHT>
204.35

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1(CCC2(C1C3C(C2)CCC3=C)C)C

> <PUBCHEM_OPENEYE_ISO_SMILES>
C[C@@]12CCC([C@@H]1[C@@H]3[C@H](C2)CCC3=C)(C)C

> <PUBCHEM_CACTVS_TPSA>
0

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
204.187800766

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
15

> <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>
1  16  5
2  11  5
3  17  6
5  18  6

$$$$