91746458
  DSViewer          3D                             0

 39 41  0  0  0  0  0  0  0  0999 V2000
    4.3495   -0.6582   -0.0508 C   0  0  2  0  0  0  0  0  0  1
    2.8957   -0.2201   -0.4177 C   0  0  2  0  0  0  0  0  0  2
    5.3927    0.2625   -0.7341 C   0  0  0  0  0  0  0  0  0  3
    4.2848   -2.1554   -0.5254 C   0  0  1  0  0  0  0  0  0  4
    2.4026    1.1812   -0.0113 C   0  0  0  0  0  0  0  0  0  5
    5.0638    1.5771    0.0058 C   0  0  3  0  0  0  0  0  0  6
    4.6962   -0.5214    1.4356 C   0  0  0  0  0  0  0  0  0  7
    2.0050   -1.3814    0.1389 C   0  0  0  0  0  0  0  0  0  8
    5.2741    0.9747    1.4704 C   0  0  0  0  0  0  0  0  0  9
    3.0400   -2.6016    0.2787 C   0  0  0  0  0  0  0  0  0 10
    3.5762    2.0425   -0.3595 C   0  0  0  0  0  0  0  0  0 11
    4.0237   -2.3453   -2.0549 C   0  0  0  0  0  0  0  0  0 12
    1.0956    1.5324   -0.7470 C   0  0  0  0  0  0  0  0  0 13
    2.0483    1.3791    1.5103 C   0  0  0  0  0  0  0  0  0 14
    3.3831    3.2258   -0.9375 C   0  0  0  0  0  0  0  0  0 15
    2.9050   -0.2389   -1.4966 H   0  0  0  0  0  0  0  0  0 16
    6.4147   -0.0678   -0.5484 H   0  0  0  0  0  0  0  0  0 17
    5.2261    0.3440   -1.8082 H   0  0  0  0  0  0  0  0  0 18
    5.1938   -2.7231   -0.2841 H   0  0  0  0  0  0  0  0  0 19
    5.7578    2.3984   -0.2181 H   0  0  0  0  0  0  0  0  0 20
    3.8124   -0.6250    2.0651 H   0  0  0  0  0  0  0  0  0 21
    5.4479   -1.2493    1.7410 H   0  0  0  0  0  0  0  0  0 22
    1.5788   -1.1176    1.1068 H   0  0  0  0  0  0  0  0  0 23
    1.2029   -1.6269   -0.5571 H   0  0  0  0  0  0  0  0  0 24
    6.3342    0.9628    1.7238 H   0  0  0  0  0  0  0  0  0 25
    4.7313    1.5708    2.2040 H   0  0  0  0  0  0  0  0  0 26
    2.6174   -3.5140   -0.1423 H   0  0  0  0  0  0  0  0  0 27
    3.2978   -2.7689    1.3245 H   0  0  0  0  0  0  0  0  0 28
    3.9954   -3.4093   -2.2898 H   0  0  0  0  0  0  0  0  0 29
    4.8237   -1.8697   -2.6224 H   0  0  0  0  0  0  0  0  0 30
    3.0698   -1.8896   -2.3206 H   0  0  0  0  0  0  0  0  0 31
    1.7136    2.4032    1.6757 H   0  0  0  0  0  0  0  0  0 32
    2.9318    1.1836    2.1180 H   0  0  0  0  0  0  0  0  0 33
    1.2539    0.6879    1.7918 H   0  0  0  0  0  0  0  0  0 34
    0.7643    2.5262   -0.4458 H   0  0  0  0  0  0  0  0  0 35
    0.3276    0.8016   -0.4933 H   0  0  0  0  0  0  0  0  0 36
    1.2686    1.5183   -1.8231 H   0  0  0  0  0  0  0  0  0 37
    2.3713    3.5667   -1.1568 H   0  0  0  0  0  0  0  0  0 38
    4.2369    3.8540   -1.1916 H   0  0  0  0  0  0  0  0  0 39
  1  2  1  0  0  0
  1  3  1  0  0  0
  1  4  1  0  0  0
  1  7  1  0  0  0
  2  5  1  0  0  0
  2  8  1  0  0  0
  2 16  1  0  0  0
  3  6  1  0  0  0
  3 17  1  0  0  0
  3 18  1  0  0  0
  4 10  1  0  0  0
  4 12  1  0  0  0
  4 19  1  0  0  0
  5 11  1  0  0  0
  5 13  1  0  0  0
  5 14  1  0  0  0
  6  9  1  0  0  0
  6 11  1  0  0  0
  6 20  1  0  0  0
  7  9  1  0  0  0
  7 21  1  0  0  0
  7 22  1  0  0  0
  8 10  1  0  0  0
  8 23  1  0  0  0
  8 24  1  0  0  0
  9 25  1  0  0  0
  9 26  1  0  0  0
 10 27  1  0  0  0
 10 28  1  0  0  0
 11 15  2  0  0  0
 12 29  1  0  0  0
 12 30  1  0  0  0
 12 31  1  0  0  0
 13 35  1  0  0  0
 13 36  1  0  0  0
 13 37  1  0  0  0
 14 32  1  0  0  0
 14 33  1  0  0  0
 14 34  1  0  0  0
 15 38  1  0  0  0
 15 39  1  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
91746458

> <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>
AAADceBwAAAAAAAAAAAAAAAAAAAAAYMAAAAwAAAABgAAAGDAAAAAGAAAAAAADwCAAAACAAAAAACAAgBCAAAAAAAgAAAAAAAAAAgAAAIAAQAAAAAAgAAAAAEAgMAPgAAAAAAAAACAAAQAACAAAQAACAAAAA==

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C15H24/c1-10-5-6-13-14(3,4)11(2)12-7-8-15(10,13)9-12/h10,12-13H,2,5-9H2,1,3-4H3/t10-,12?,13+,15-/m1/s1

> <PUBCHEM_IUPAC_INCHIKEY>
RFSYBMDOYOBTCL-INHPVMQOSA-N

> <PUBCHEM_XLOGP3_AA>
5.1

> <PUBCHEM_EXACT_MASS>
204.188

> <PUBCHEM_MOLECULAR_FORMULA>
C15H24

> <PUBCHEM_MOLECULAR_WEIGHT>
204.351

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1CCC2C13CCC(C3)C(=C)C2(C)C

> <PUBCHEM_OPENEYE_ISO_SMILES>
C[C@@H]1CC[C@@H]2[C@@]13CCC(C3)C(=C)C2(C)C

> <PUBCHEM_CACTVS_TPSA>
0

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
204.188

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
15

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
3

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
1

> <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  3  6
2  16  6
4  12  6
6  9  3

$$$$