15983960
  -OEChem-09041503142D

 40 41  0     1  0  0  0  0  0999 V2000
    2.5369   -2.5950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    1.4050    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.2690    0.4050    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.4030    1.9050    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.4030   -0.0950    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.5369    1.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369    0.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1629    1.9397    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1629   -0.1297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0690    1.4258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    2.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0690    0.3842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -1.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9331   -0.1192    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -1.5950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -1.5950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2624    2.2550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2624   -0.4450    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9399    2.2150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9399   -0.4050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3249    1.9876    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9264    1.2973    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9264    0.5127    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3249   -0.1776    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5566    2.4187    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7583    2.4094    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1558   -0.7496    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6798    1.3197    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2780    2.0095    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0230    2.9050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    3.5250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7830    2.9050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6210   -0.6549    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4688   -0.4312    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2452    0.4166    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3249   -1.0124    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9264   -1.7027    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -2.2150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8059   -1.2850    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.9050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 15  1  0  0  0  0
  1 40  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  8  1  0  0  0  0
  2 17  1  1  0  0  0
  3  5  1  0  0  0  0
  3  9  1  0  0  0  0
  3 18  1  1  0  0  0
  4  6  1  0  0  0  0
  4 11  1  1  0  0  0
  4 19  1  0  0  0  0
  5  7  1  0  0  0  0
  5 13  1  6  0  0  0
  5 20  1  0  0  0  0
  6  7  1  0  0  0  0
  6 21  1  0  0  0  0
  6 22  1  0  0  0  0
  7 23  1  0  0  0  0
  7 24  1  0  0  0  0
  8 10  1  0  0  0  0
  8 25  1  0  0  0  0
  8 26  1  0  0  0  0
  9 12  2  0  0  0  0
  9 27  1  0  0  0  0
 10 12  1  0  0  0  0
 10 28  1  0  0  0  0
 10 29  1  0  0  0  0
 11 30  1  0  0  0  0
 11 31  1  0  0  0  0
 11 32  1  0  0  0  0
 12 14  1  0  0  0  0
 13 15  1  0  0  0  0
 13 16  2  0  0  0  0
 14 33  1  0  0  0  0
 14 34  1  0  0  0  0
 14 35  1  0  0  0  0
 15 36  1  0  0  0  0
 15 37  1  0  0  0  0
 16 38  1  0  0  0  0
 16 39  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
15983960

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
303

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
1

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
2

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceBwIAAAAAAAAAAAAAAAAAAAAAAAAAAwQAAAAAAAAACAAAAAGgAACAAADQCggAICAAAAAgCAAiBCAAAAAAAgAAAACAAAAAgAFAIAAQAAQAAEgAAIEAOAwPAOgAAAAAAAAACAAAQAACAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
2-[(1R,4R,4aS,8aR)-4,7-dimethyl-1,2,3,4,4a,5,6,8a-octahydronaphthalen-1-yl]prop-2-en-1-ol

> <PUBCHEM_IUPAC_CAS_NAME>
2-[(1R,4R,4aS,8aR)-4,7-dimethyl-1,2,3,4,4a,5,6,8a-octahydronaphthalen-1-yl]-2-propen-1-ol

> <PUBCHEM_IUPAC_NAME>
2-[(1R,4R,4aS,8aR)-4,7-dimethyl-1,2,3,4,4a,5,6,8a-octahydronaphthalen-1-yl]prop-2-en-1-ol

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
2-[(1R,4R,4aS,8aR)-4,7-dimethyl-1,2,3,4,4a,5,6,8a-octahydronaphthalen-1-yl]prop-2-en-1-ol

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
2-[(1R,4R,4aS,8aR)-4,7-dimethyl-1,2,3,4,4a,5,6,8a-octahydronaphthalen-1-yl]prop-2-en-1-ol

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C15H24O/c1-10-4-6-13-11(2)5-7-14(12(3)9-16)15(13)8-10/h8,11,13-16H,3-7,9H2,1-2H3/t11-,13+,14+,15+/m1/s1

> <PUBCHEM_IUPAC_INCHIKEY>
CZSSHKCZSDDOAH-UNQGMJICSA-N

> <PUBCHEM_XLOGP3_AA>
3.8

> <PUBCHEM_EXACT_MASS>
220.182715

> <PUBCHEM_MOLECULAR_FORMULA>
C15H24O

> <PUBCHEM_MOLECULAR_WEIGHT>
220.35046

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1CCC(C2C1CCC(=C2)C)C(=C)CO

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

> <PUBCHEM_CACTVS_TPSA>
20.2

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
220.182715

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
16

> <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>
2  17  5
3  18  5
4  11  5
5  13  6

$$$$
