12309745
  DSViewer          3D                             0

 39 40  0  0  0  0  0  0  0  0999 V2000
    5.7555   -0.0905    0.5689 C   0  0  2  0  0  0  0  0  0  1
    7.0323   -0.8371    0.1196 C   0  0  1  0  0  0  0  0  0  2
    4.4762   -0.9016    0.1769 C   0  0  0  0  0  0  0  0  0  3
    5.7038    1.3296    0.0548 C   0  0  0  0  0  0  0  0  0  4
    3.2218   -0.0337   -0.1868 C   0  0  3  0  0  0  0  0  0  5
    4.3775    2.1076    0.0595 C   0  0  0  0  0  0  0  0  0  6
    8.2365    0.0028    0.5215 C   0  0  0  0  0  0  0  0  0  7
    3.1463    1.2765    0.5687 C   0  0  0  0  0  0  0  0  0  8
    5.7972    0.0235    2.1370 C   0  0  0  0  0  0  0  0  0  9
    8.1980    1.3148   -0.3104 C   0  0  0  0  0  0  0  0  0 10
    6.8165    1.9634   -0.3224 C   0  0  0  0  0  0  0  0  0 11
    7.0823   -2.2250    0.7934 C   0  0  0  0  0  0  0  0  0 12
    1.9665   -0.8592   -0.0447 C   0  0  0  0  0  0  0  0  0 13
    0.6348   -0.1838    0.1262 C   0  0  0  0  0  0  0  0  0 14
    2.0352   -2.1895   -0.0501 C   0  0  0  0  0  0  0  0  0 15
    7.0384   -0.9619   -0.9725 H   0  0  0  0  0  0  0  0  0 16
    4.7204   -1.5199   -0.6869 H   0  0  0  0  0  0  0  0  0 17
    4.2112   -1.5411    1.0189 H   0  0  0  0  0  0  0  0  0 18
    3.3059    0.2804   -1.2378 H   0  0  0  0  0  0  0  0  0 19
    4.4937    2.9775    0.7059 H   0  0  0  0  0  0  0  0  0 20
    4.1704    2.4362   -0.9590 H   0  0  0  0  0  0  0  0  0 21
    8.1874    0.2364    1.5850 H   0  0  0  0  0  0  0  0  0 22
    9.1563   -0.5430    0.3110 H   0  0  0  0  0  0  0  0  0 23
    2.2142    1.7953    0.3444 H   0  0  0  0  0  0  0  0  0 24
    3.2175    1.1045    1.6427 H   0  0  0  0  0  0  0  0  0 25
    4.9077    0.5469    2.4875 H   0  0  0  0  0  0  0  0  0 26
    6.6864    0.5774    2.4380 H   0  0  0  0  0  0  0  0  0 27
    5.8264   -0.9748    2.5737 H   0  0  0  0  0  0  0  0  0 28
    8.9106    2.0200    0.1175 H   0  0  0  0  0  0  0  0  0 29
    8.4845    1.0855   -1.3367 H   0  0  0  0  0  0  0  0  0 30
    6.7341    2.9977   -0.6563 H   0  0  0  0  0  0  0  0  0 31
    7.9827   -2.7511    0.4764 H   0  0  0  0  0  0  0  0  0 32
    6.2040   -2.8019    0.5039 H   0  0  0  0  0  0  0  0  0 33
    7.0957   -2.1032    1.8766 H   0  0  0  0  0  0  0  0  0 34
   -0.1474   -0.9381    0.2116 H   0  0  0  0  0  0  0  0  0 35
    0.4348    0.4500   -0.7378 H   0  0  0  0  0  0  0  0  0 36
    0.6498    0.4271    1.0288 H   0  0  0  0  0  0  0  0  0 37
    3.0002   -2.6849   -0.1573 H   0  0  0  0  0  0  0  0  0 38
    1.1265   -2.7825    0.0528 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  9  1  0  0  0
  2  7  1  0  0  0
  2 12  1  0  0  0
  2 16  1  0  0  0
  3  5  1  0  0  0
  3 17  1  0  0  0
  3 18  1  0  0  0
  4  6  1  0  0  0
  4 11  2  0  0  0
  5  8  1  0  0  0
  5 13  1  0  0  0
  5 19  1  0  0  0
  6  8  1  0  0  0
  6 20  1  0  0  0
  6 21  1  0  0  0
  7 10  1  0  0  0
  7 22  1  0  0  0
  7 23  1  0  0  0
  8 24  1  0  0  0
  8 25  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 32  1  0  0  0
 12 33  1  0  0  0
 12 34  1  0  0  0
 13 14  1  0  0  0
 13 15  2  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>
12309745

> <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>
AAADceBwAAAAAAAAAAAAAAAAAAAAAAAAAAAwQAAAAAAAAACAAAAAGAAAAAAADwCAAAACAAAAAACAAiBCAAAAAAAgAAAACAAAAAgAAAIAAQAAAAAAgAAIAAMAgMAPgAAAAAAAAAAAAAQAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
(4aS,5R)-3-isopropenyl-4a,5-dimethyl-2,3,4,5,6,7-hexahydro-1H-naphthalene

> <PUBCHEM_IUPAC_CAS_NAME>
(4aS,5R)-4a,5-dimethyl-3-(1-methylethenyl)-2,3,4,5,6,7-hexahydro-1H-naphthalene

> <PUBCHEM_IUPAC_NAME>
(4aS,5R)-4a,5-dimethyl-3-prop-1-en-2-yl-2,3,4,5,6,7-hexahydro-1H-naphthalene

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
(4aS,5R)-4a,5-dimethyl-3-prop-1-en-2-yl-2,3,4,5,6,7-hexahydro-1H-naphthalene

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(4aS,5R)-3-isopropenyl-4a,5-dimethyl-2,3,4,5,6,7-hexahydro-1H-naphthalene

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C15H24/c1-11(2)13-8-9-14-7-5-6-12(3)15(14,4)10-13/h7,12-13H,1,5-6,8-10H2,2-4H3/t12-,13?,15+/m1/s1

> <PUBCHEM_IUPAC_INCHIKEY>
QEBNYNLSCGVZOH-JHIQODARSA-N

> <PUBCHEM_XLOGP3_AA>
5.2

> <PUBCHEM_EXACT_MASS>
204.188

> <PUBCHEM_MOLECULAR_FORMULA>
C15H24

> <PUBCHEM_MOLECULAR_WEIGHT>
204.351

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1CCC=C2C1(CC(CC2)C(=C)C)C

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

> <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  9  5
2  12  5
5  13  3

$$$$