91747196
  DSViewer          3D                             0

 39 41  0  0  0  0  0  0  0  0999 V2000
    5.1795   -0.9402    0.2364 C   0  0  3  0  0  0  0  0  0  1
    3.8834   -0.1866   -0.3752 C   0  0  1  0  0  0  0  0  0  2
    3.6017   -1.1176    0.6626 C   0  0  3  0  0  0  0  0  0  3
    6.1972    0.2633    0.2296 C   0  0  2  0  0  0  0  0  0  4
    3.5883    1.3991   -0.1326 C   0  0  2  0  0  0  0  0  0  5
    5.5111   -2.1323   -0.6946 C   0  0  0  0  0  0  0  0  0  6
    3.3529   -2.5249    0.2672 C   0  0  0  0  0  0  0  0  0  7
    5.7287    1.3517    1.2966 C   0  0  0  0  0  0  0  0  0  8
    4.1920    1.7585    1.2232 C   0  0  0  0  0  0  0  0  0  9
    4.3303   -3.0705   -0.4603 C   0  0  0  0  0  0  0  0  0 10
    2.0684    1.8143   -0.2412 C   0  0  0  0  0  0  0  0  0 11
    6.4674    0.8251   -1.2353 C   0  0  0  0  0  0  0  0  0 12
    2.1398   -3.2895    0.7016 C   0  0  0  0  0  0  0  0  0 13
    1.9656    3.3390   -0.0545 C   0  0  0  0  0  0  0  0  0 14
    1.1490    1.1539    0.8150 C   0  0  0  0  0  0  0  0  0 15
    3.5672   -0.5646   -1.3560 H   0  0  0  0  0  0  0  0  0 16
    3.2700   -0.7332    1.6340 H   0  0  0  0  0  0  0  0  0 17
    7.1835   -0.1131    0.5335 H   0  0  0  0  0  0  0  0  0 18
    4.1185    1.9656   -0.9001 H   0  0  0  0  0  0  0  0  0 19
    5.5626   -1.8162   -1.7365 H   0  0  0  0  0  0  0  0  0 20
    6.4518   -2.6042   -0.4107 H   0  0  0  0  0  0  0  0  0 21
    5.9242    0.9530    2.2921 H   0  0  0  0  0  0  0  0  0 22
    6.3231    2.2522    1.1421 H   0  0  0  0  0  0  0  0  0 23
    4.1014    2.8336    1.3786 H   0  0  0  0  0  0  0  0  0 24
    3.6471    1.2306    2.0058 H   0  0  0  0  0  0  0  0  0 25
    4.2891   -4.0879   -0.8493 H   0  0  0  0  0  0  0  0  0 26
    1.7031    1.5513   -1.2434 H   0  0  0  0  0  0  0  0  0 27
    7.1750    1.6524   -1.1830 H   0  0  0  0  0  0  0  0  0 28
    5.5308    1.1756   -1.6691 H   0  0  0  0  0  0  0  0  0 29
    6.8816    0.0323   -1.8583 H   0  0  0  0  0  0  0  0  0 30
    2.1776   -4.2974    0.2883 H   0  0  0  0  0  0  0  0  0 31
    1.2432   -2.7838    0.3431 H   0  0  0  0  0  0  0  0  0 32
    2.1148   -3.3444    1.7900 H   0  0  0  0  0  0  0  0  0 33
    0.1238    1.4936    0.6683 H   0  0  0  0  0  0  0  0  0 34
    1.4840    1.4325    1.8141 H   0  0  0  0  0  0  0  0  0 35
    1.1910    0.0700    0.7072 H   0  0  0  0  0  0  0  0  0 36
    0.9219    3.6448   -0.1264 H   0  0  0  0  0  0  0  0  0 37
    2.5448    3.8403   -0.8300 H   0  0  0  0  0  0  0  0  0 38
    2.3572    3.6128    0.9252 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  6  1  0  0  0
  2  3  1  0  0  0
  2  5  1  0  0  0
  2 16  1  0  0  0
  3  7  1  0  0  0
  3 17  1  0  0  0
  4  8  1  0  0  0
  4 12  1  0  0  0
  4 18  1  0  0  0
  5  9  1  0  0  0
  5 11  1  0  0  0
  5 19  1  0  0  0
  6 10  1  0  0  0
  6 20  1  0  0  0
  6 21  1  0  0  0
  7 10  2  0  0  0
  7 13  1  0  0  0
  8  9  1  0  0  0
  8 22  1  0  0  0
  8 23  1  0  0  0
  9 24  1  0  0  0
  9 25  1  0  0  0
 10 26  1  0  0  0
 11 14  1  0  0  0
 11 15  1  0  0  0
 11 27  1  0  0  0
 12 28  1  0  0  0
 12 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>
91747196

> <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>
AAADceBwAAAAAAAAAAAAAAAAGAAAAQAAAAAwQAAABgAAAACAAAAAGAAAAAAADwCAAAACAAAAAACAAiBCAAAAAAAgAAAACAAAAAgAAAIAAQAAAAAAgAAIAAMAgMAPgAAAAAAAAACAAAQAACAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C15H24/c1-9(2)12-6-5-11(4)15-8-7-10(3)13(15)14(12)15/h7,9,11-14H,5-6,8H2,1-4H3/t11-,12+,13?,14-,15?/m0/s1

> <PUBCHEM_IUPAC_INCHIKEY>
XUEHVOLRMXNRKQ-HKGGGCDWSA-N

> <PUBCHEM_XLOGP3_AA>
4.5

> <PUBCHEM_EXACT_MASS>
204.188

> <PUBCHEM_MOLECULAR_FORMULA>
C15H24

> <PUBCHEM_MOLECULAR_WEIGHT>
204.351

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1CCC(C2C13C2C(=CC3)C)C(C)C

> <PUBCHEM_OPENEYE_ISO_SMILES>
C[C@H]1CC[C@@H]([C@@H]2C13C2C(=CC3)C)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>
3

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
2

> <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  6  3
2  16  5
3  7  3
4  12  6
5  11  5

$$$$