92762
  DSViewer          3D                             0

 42 43  0  0  0  0  0  0  0  0999 V2000
    2.0396    1.3607    1.1484 O   0  0  0  0  0  0  0  0  0  1
    6.0559   -1.0113    0.0131 C   0  0  1  0  0  0  0  0  0  2
    6.1822    0.5094   -0.2310 C   0  0  1  0  0  0  0  0  0  3
    3.7023    0.7242   -0.6011 C   0  0  1  0  0  0  0  0  0  4
    4.9067    1.2720    0.2142 C   0  0  0  0  0  0  0  0  0  5
    4.8435   -1.5255   -0.7881 C   0  0  0  0  0  0  0  0  0  6
    3.5511   -0.8033   -0.3399 C   0  0  0  0  0  0  0  0  0  7
    7.3484   -1.6431   -0.5182 C   0  0  0  0  0  0  0  0  0  8
    2.3952    1.4984   -0.2393 C   0  0  0  0  0  0  0  0  0  9
    7.4335    1.0924    0.4062 C   0  0  0  0  0  0  0  0  0 10
    5.8538   -1.3632    1.5268 C   0  0  0  0  0  0  0  0  0 11
    8.5608   -1.1545    0.3237 C   0  0  0  0  0  0  0  0  0 12
    8.5239    0.3427    0.6222 C   0  0  0  0  0  0  0  0  0 13
    1.2381    0.9680   -1.1072 C   0  0  0  0  0  0  0  0  0 14
    2.6100    2.9927   -0.5470 C   0  0  0  0  0  0  0  0  0 15
    7.4842    2.5576    0.7332 C   0  0  0  0  0  0  0  0  0 16
    6.2899    0.6620   -1.3123 H   0  0  0  0  0  0  0  0  0 17
    3.9065    0.8788   -1.6671 H   0  0  0  0  0  0  0  0  0 18
    4.7344    1.1123    1.2786 H   0  0  0  0  0  0  0  0  0 19
    5.0282    2.3378    0.0212 H   0  0  0  0  0  0  0  0  0 20
    5.0094   -1.3380   -1.8490 H   0  0  0  0  0  0  0  0  0 21
    4.7318   -2.5968   -0.6210 H   0  0  0  0  0  0  0  0  0 22
    3.3866   -0.9768    0.7235 H   0  0  0  0  0  0  0  0  0 23
    2.7033   -1.1879   -0.9068 H   0  0  0  0  0  0  0  0  0 24
    7.2748   -2.7285   -0.4497 H   0  0  0  0  0  0  0  0  0 25
    7.4910   -1.3531   -1.5592 H   0  0  0  0  0  0  0  0  0 26
    5.7710   -2.4439    1.6412 H   0  0  0  0  0  0  0  0  0 27
    4.9429   -0.8889    1.8921 H   0  0  0  0  0  0  0  0  0 28
    6.7067   -1.0018    2.1013 H   0  0  0  0  0  0  0  0  0 29
    8.5658   -1.6959    1.2697 H   0  0  0  0  0  0  0  0  0 30
    9.4755   -1.3751   -0.2266 H   0  0  0  0  0  0  0  0  0 31
    9.4171    0.8195    1.0259 H   0  0  0  0  0  0  0  0  0 32
    1.4982    1.0681   -2.1610 H   0  0  0  0  0  0  0  0  0 33
    0.3351    1.5423   -0.9003 H   0  0  0  0  0  0  0  0  0 34
    1.0613   -0.0823   -0.8754 H   0  0  0  0  0  0  0  0  0 35
    2.8803    3.1130   -1.5960 H   0  0  0  0  0  0  0  0  0 36
    3.4113    3.3820    0.0811 H   0  0  0  0  0  0  0  0  0 37
    1.6905    3.5418   -0.3440 H   0  0  0  0  0  0  0  0  0 38
    8.4488    2.7974    1.1806 H   0  0  0  0  0  0  0  0  0 39
    6.6876    2.8012    1.4363 H   0  0  0  0  0  0  0  0  0 40
    7.3530    3.1389   -0.1795 H   0  0  0  0  0  0  0  0  0 41
    1.8395    0.4185    1.3646 H   0  0  0  0  0  0  0  0  0 42
  1  9  1  0  0  0
  1 42  1  0  0  0
  2  3  1  0  0  0
  2  6  1  0  0  0
  2  8  1  0  0  0
  2 11  1  0  0  0
  3  5  1  0  0  0
  3 10  1  0  0  0
  3 17  1  0  0  0
  4  5  1  0  0  0
  4  7  1  0  0  0
  4  9  1  0  0  0
  4 18  1  0  0  0
  5 19  1  0  0  0
  5 20  1  0  0  0
  6  7  1  0  0  0
  6 21  1  0  0  0
  6 22  1  0  0  0
  7 23  1  0  0  0
  7 24  1  0  0  0
  8 12  1  0  0  0
  8 25  1  0  0  0
  8 26  1  0  0  0
  9 14  1  0  0  0
  9 15  1  0  0  0
 10 13  2  0  0  0
 10 16  1  0  0  0
 11 27  1  0  0  0
 11 28  1  0  0  0
 11 29  1  0  0  0
 12 13  1  0  0  0
 12 30  1  0  0  0
 12 31  1  0  0  0
 13 32  1  0  0  0
 14 33  1  0  0  0
 14 34  1  0  0  0
 14 35  1  0  0  0
 15 36  1  0  0  0
 15 37  1  0  0  0
 15 38  1  0  0  0
 16 39  1  0  0  0
 16 40  1  0  0  0
 16 41  1  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
92762

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
303

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
1

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
1

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceBwIAAAAAAAAAAAAAAAAAAAAAAAAAAwQAAAAAAAAACAAAAAGgAACAAAD0SAgAACAAAAAgCAAiBCAAAAAAAgAAAACAAAAAgAAAIAAQAAQAAEgAAIAAOAwPAPgAAAAAAAAACAAAQAACAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
2-[(2R,4aR,8aR)-4a,8-dimethyl-2,3,4,5,6,8a-hexahydro-1H-naphthalen-2-yl]propan-2-ol

> <PUBCHEM_IUPAC_CAS_NAME>
2-[(2R,4aR,8aR)-4a,8-dimethyl-2,3,4,5,6,8a-hexahydro-1H-naphthalen-2-yl]-2-propanol

> <PUBCHEM_IUPAC_NAME>
2-[(2R,4aR,8aR)-4a,8-dimethyl-2,3,4,5,6,8a-hexahydro-1H-naphthalen-2-yl]propan-2-ol

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
2-[(2R,4aR,8aR)-4a,8-dimethyl-2,3,4,5,6,8a-hexahydro-1H-naphthalen-2-yl]propan-2-ol

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
2-[(2R,4aR,8aR)-4a,8-dimethyl-2,3,4,5,6,8a-hexahydro-1H-naphthalen-2-yl]propan-2-ol

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C15H26O/c1-11-6-5-8-15(4)9-7-12(10-13(11)15)14(2,3)16/h6,12-13,16H,5,7-10H2,1-4H3/t12-,13+,15-/m1/s1

> <PUBCHEM_IUPAC_INCHIKEY>
FCSRUSQUAVXUKK-VNHYZAJKSA-N

> <PUBCHEM_XLOGP3_AA>
3.5

> <PUBCHEM_EXACT_MASS>
222.198

> <PUBCHEM_MOLECULAR_FORMULA>
C15H26O

> <PUBCHEM_MOLECULAR_WEIGHT>
222.366

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

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC1=CCC[C@]2([C@H]1C[C@@H](CC2)C(C)(C)O)C

> <PUBCHEM_CACTVS_TPSA>
20.2

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
222.198

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
16

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

$$$$
