10726905
  DSViewer          3D                             0

 39 40  0  0  0  0  0  0  0  0999 V2000
    5.6405   -0.9817   -0.0091 C   0  0  1  0  0  0  0  0  0  1
    5.5993    0.5673   -0.1059 C   0  0  1  0  0  0  0  0  0  2
    4.2221   -1.5252   -0.3193 C   0  0  0  0  0  0  0  0  0  3
    4.5762    1.1696    0.9070 C   0  0  0  0  0  0  0  0  0  4
    3.1511    0.5905    0.6424 C   0  0  2  0  0  0  0  0  0  5
    6.6455   -1.4491   -1.0653 C   0  0  0  0  0  0  0  0  0  6
    3.2058   -0.9652    0.7277 C   0  0  0  0  0  0  0  0  0  7
    6.9717    1.1925    0.0654 C   0  0  0  0  0  0  0  0  0  8
    6.0677   -1.4891    1.4105 C   0  0  0  0  0  0  0  0  0  9
    8.0693   -0.9391   -0.6915 C   0  0  0  0  0  0  0  0  0 10
    8.0898    0.5187   -0.2325 C   0  0  0  0  0  0  0  0  0 11
    2.5492    1.0753   -0.6883 C   0  0  0  0  0  0  0  0  0 12
    7.0807    2.6212    0.5187 C   0  0  0  0  0  0  0  0  0 13
    1.3905    0.3293   -1.3094 C   0  0  0  0  0  0  0  0  0 14
    2.8519    2.2853   -1.1615 C   0  0  0  0  0  0  0  0  0 15
    5.2681    0.8239   -1.1192 H   0  0  0  0  0  0  0  0  0 16
    3.9235   -1.2099   -1.3191 H   0  0  0  0  0  0  0  0  0 17
    4.2318   -2.6140   -0.2690 H   0  0  0  0  0  0  0  0  0 18
    4.8841    0.9182    1.9220 H   0  0  0  0  0  0  0  0  0 19
    4.5514    2.2532    0.7921 H   0  0  0  0  0  0  0  0  0 20
    2.4787    0.9521    1.4322 H   0  0  0  0  0  0  0  0  0 21
    6.6493   -2.5384   -1.1058 H   0  0  0  0  0  0  0  0  0 22
    6.3610   -1.0498   -2.0388 H   0  0  0  0  0  0  0  0  0 23
    2.2157   -1.3724    0.5225 H   0  0  0  0  0  0  0  0  0 24
    3.5202   -1.2604    1.7287 H   0  0  0  0  0  0  0  0  0 25
    6.0790   -2.5789    1.4192 H   0  0  0  0  0  0  0  0  0 26
    5.3581   -1.1276    2.1548 H   0  0  0  0  0  0  0  0  0 27
    7.0637   -1.1140    1.6464 H   0  0  0  0  0  0  0  0  0 28
    8.4584   -1.5608    0.1148 H   0  0  0  0  0  0  0  0  0 29
    8.7115   -1.0348   -1.5670 H   0  0  0  0  0  0  0  0  0 30
    9.0494    1.0282   -0.1446 H   0  0  0  0  0  0  0  0  0 31
    8.1316    2.9021    0.5869 H   0  0  0  0  0  0  0  0  0 32
    6.6121    2.7293    1.4969 H   0  0  0  0  0  0  0  0  0 33
    6.5775    3.2698   -0.1984 H   0  0  0  0  0  0  0  0  0 34
    1.1020    0.8159   -2.2410 H   0  0  0  0  0  0  0  0  0 35
    0.5450    0.3325   -0.6214 H   0  0  0  0  0  0  0  0  0 36
    1.6879   -0.6992   -1.5142 H   0  0  0  0  0  0  0  0  0 37
    3.5279    2.9346   -0.6052 H   0  0  0  0  0  0  0  0  0 38
    2.4232    2.6246   -2.1045 H   0  0  0  0  0  0  0  0  0 39
  1  2  1  0  0  0
  1  3  1  0  0  0
  1  6  1  0  0  0
  1  9  1  0  0  0
  2  4  1  0  0  0
  2  8  1  0  0  0
  2 16  1  0  0  0
  3  7  1  0  0  0
  3 17  1  0  0  0
  3 18  1  0  0  0
  4  5  1  0  0  0
  4 19  1  0  0  0
  4 20  1  0  0  0
  5  7  1  0  0  0
  5 12  1  0  0  0
  5 21  1  0  0  0
  6 10  1  0  0  0
  6 22  1  0  0  0
  6 23  1  0  0  0
  7 24  1  0  0  0
  7 25  1  0  0  0
  8 11  2  0  0  0
  8 13  1  0  0  0
  9 26  1  0  0  0
  9 27  1  0  0  0
  9 28  1  0  0  0
 10 11  1  0  0  0
 10 29  1  0  0  0
 10 30  1  0  0  0
 11 31  1  0  0  0
 12 14  1  0  0  0
 12 15  2  0  0  0
 13 32  1  0  0  0
 13 33  1  0  0  0
 13 34  1  0  0  0
 14 35  1  0  0  0
 14 36  1  0  0  0
 14 37  1  0  0  0
 15 38  1  0  0  0
 15 39  1  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
10726905

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
297

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
0

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
1

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceBwAAAAAAAAAAAAAAAAAAAAAAAAAAAwQAAAAAAAAACAAAAAGAAAAAAADwCAAAACAAAAAACAAiBCAAAAAAAgAAAACAAAAAgAAAIAAQAAAAAAgAAIAAMAgMAPgAAAAAAAAACAAAQAACAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
(3S,4aR,8aR)-3-isopropenyl-5,8a-dimethyl-2,3,4,4a,7,8-hexahydro-1H-naphthalene

> <PUBCHEM_IUPAC_CAS_NAME>
(3S,4aR,8aR)-5,8a-dimethyl-3-(1-methylethenyl)-2,3,4,4a,7,8-hexahydro-1H-naphthalene

> <PUBCHEM_IUPAC_NAME>
(3S,4aR,8aR)-5,8a-dimethyl-3-prop-1-en-2-yl-2,3,4,4a,7,8-hexahydro-1H-naphthalene

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
(3S,4aR,8aR)-5,8a-dimethyl-3-prop-1-en-2-yl-2,3,4,4a,7,8-hexahydro-1H-naphthalene

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(3S,4aR,8aR)-3-isopropenyl-5,8a-dimethyl-2,3,4,4a,7,8-hexahydro-1H-naphthalene

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C15H24/c1-11(2)13-7-9-15(4)8-5-6-12(3)14(15)10-13/h6,13-14H,1,5,7-10H2,2-4H3/t13-,14-,15+/m0/s1

> <PUBCHEM_IUPAC_INCHIKEY>
OZQAPQSEYFAMCY-SOUVJXGZSA-N

> <PUBCHEM_XLOGP3_AA>
5.2

> <PUBCHEM_EXACT_MASS>
204.188

> <PUBCHEM_MOLECULAR_FORMULA>
C15H24

> <PUBCHEM_MOLECULAR_WEIGHT>
204.351

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1=CCCC2(C1CC(CC2)C(=C)C)C

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC1=CCC[C@]2([C@H]1C[C@H](CC2)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>
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  9  5
2  16  6
5  12  6

$$$$
