70678558
  DSViewer          3D                             0

 39 41  0  0  0  0  0  0  0  0999 V2000
    3.4060    0.0861    0.5137 C   0  0  2  0  0  0  0  0  0  1
    5.3341   -0.1198   -0.3140 C   0  0  1  0  0  0  0  0  0  2
    3.9283   -0.1859   -0.9767 C   0  0  2  0  0  0  0  0  0  3
    4.7129    0.8590    0.6986 C   0  0  3  0  0  0  0  0  0  4
    5.8157   -1.4312    0.4069 C   0  0  1  0  0  0  0  0  0  5
    3.4696   -1.1520    1.4876 C   0  0  0  0  0  0  0  0  0  6
    4.5445   -2.1256    0.9631 C   0  0  0  0  0  0  0  0  0  7
    3.7425    1.0310   -1.9427 C   0  0  0  0  0  0  0  0  0  8
    4.6898    2.2201    0.0182 C   0  0  0  0  0  0  0  0  0  9
    2.1182    0.9408    0.7228 C   0  0  0  0  0  0  0  0  0 10
    6.5570   -2.5055   -0.4831 C   0  0  0  0  0  0  0  0  0 11
    4.2455    2.3078   -1.2466 C   0  0  0  0  0  0  0  0  0 12
    5.1971    3.4389    0.7345 C   0  0  0  0  0  0  0  0  0 13
    5.6970   -3.0606   -1.6406 C   0  0  0  0  0  0  0  0  0 14
    7.8366   -1.8849   -1.0756 C   0  0  0  0  0  0  0  0  0 15
    6.1203    0.4069   -0.8714 H   0  0  0  0  0  0  0  0  0 16
    3.6356   -1.1575   -1.3912 H   0  0  0  0  0  0  0  0  0 17
    5.1439    0.8177    1.7085 H   0  0  0  0  0  0  0  0  0 18
    6.5151   -1.1124    1.1918 H   0  0  0  0  0  0  0  0  0 19
    3.7331   -0.8182    2.4913 H   0  0  0  0  0  0  0  0  0 20
    2.5010   -1.6512    1.5128 H   0  0  0  0  0  0  0  0  0 21
    4.1041   -2.7225    0.1643 H   0  0  0  0  0  0  0  0  0 22
    4.8431   -2.7788    1.7830 H   0  0  0  0  0  0  0  0  0 23
    4.3147    0.8632   -2.8551 H   0  0  0  0  0  0  0  0  0 24
    2.6869    1.1422   -2.1905 H   0  0  0  0  0  0  0  0  0 25
    1.9073    1.0261    1.7888 H   0  0  0  0  0  0  0  0  0 26
    1.2771    0.4595    0.2239 H   0  0  0  0  0  0  0  0  0 27
    2.2691    1.9351    0.3022 H   0  0  0  0  0  0  0  0  0 28
    6.8393   -3.3490    0.1624 H   0  0  0  0  0  0  0  0  0 29
    4.2414    3.2642   -1.7693 H   0  0  0  0  0  0  0  0  0 30
    5.0975    4.3095    0.0864 H   0  0  0  0  0  0  0  0  0 31
    6.2463    3.2979    0.9941 H   0  0  0  0  0  0  0  0  0 32
    4.6161    3.5948    1.6435 H   0  0  0  0  0  0  0  0  0 33
    8.3491   -2.6251   -1.6899 H   0  0  0  0  0  0  0  0  0 34
    8.4945   -1.5662   -0.2670 H   0  0  0  0  0  0  0  0  0 35
    7.5727   -1.0238   -1.6896 H   0  0  0  0  0  0  0  0  0 36
    6.2752   -3.7920   -2.2052 H   0  0  0  0  0  0  0  0  0 37
    5.4030   -2.2437   -2.2996 H   0  0  0  0  0  0  0  0  0 38
    4.8053   -3.5384   -1.2347 H   0  0  0  0  0  0  0  0  0 39
  1  3  1  0  0  0
  1  4  1  0  0  0
  1  6  1  0  0  0
  1 10  1  0  0  0
  2  3  1  0  0  0
  2  4  1  0  0  0
  2  5  1  0  0  0
  2 16  1  0  0  0
  3  8  1  0  0  0
  3 17  1  0  0  0
  4  9  1  0  0  0
  4 18  1  0  0  0
  5  7  1  0  0  0
  5 11  1  0  0  0
  5 19  1  0  0  0
  6  7  1  0  0  0
  6 20  1  0  0  0
  6 21  1  0  0  0
  7 22  1  0  0  0
  7 23  1  0  0  0
  8 12  1  0  0  0
  8 24  1  0  0  0
  8 25  1  0  0  0
  9 12  2  0  0  0
  9 13  1  0  0  0
 10 26  1  0  0  0
 10 27  1  0  0  0
 10 28  1  0  0  0
 11 14  1  0  0  0
 11 15  1  0  0  0
 11 29  1  0  0  0
 12 30  1  0  0  0
 13 31  1  0  0  0
 13 32  1  0  0  0
 13 33  1  0  0  0
 14 37  1  0  0  0
 14 38  1  0  0  0
 14 39  1  0  0  0
 15 34  1  0  0  0
 15 35  1  0  0  0
 15 36  1  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
70678558

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
312

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
0

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
1

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceBwAAAAAAAAAAAAAAAAAABgAAAAAAAwYIEAAAAAAAAAAAAAGAAAAAAADwCAAAACAAAAAACAAiBCAAAAAAAgAAAACAAAAAgAAAIAAQAAAAAAgAAIAAMAgMAPgAAAAAAAAACAAAQAACAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C15H24/c1-9(2)11-7-8-15(4)12-6-5-10(3)14(15)13(11)12/h5,9,11-14H,6-8H2,1-4H3/t11-,12-,13-,14?,15-/m0/s1

> <PUBCHEM_IUPAC_INCHIKEY>
VLXDPFLIRFYIME-XIQJJJERSA-N

> <PUBCHEM_XLOGP3_AA>
4.5

> <PUBCHEM_EXACT_MASS>
204.188

> <PUBCHEM_MOLECULAR_FORMULA>
C15H24

> <PUBCHEM_MOLECULAR_WEIGHT>
204.351

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1=CCC2C3C1C2(CCC3C(C)C)C

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC1=CC[C@H]2[C@H]3C1[C@]2(CC[C@H]3C(C)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>
4

> <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  10  5
2  16  6
3  17  6
4  9  3
5  11  6

$$$$
