3084331
  DSViewer          3D                             0

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    4.0365   -1.4610    0.2684 C   0  0  1  0  0  0  0  0  0  2
    3.8207    0.0053    0.7469 C   0  0  2  0  0  0  0  0  0  3
    2.8561    0.8026   -0.2953 C   0  0  1  0  0  0  0  0  0  4
    2.6620   -2.1568    0.1366 C   0  0  2  0  0  0  0  0  0  5
    1.5187    0.0311   -0.3902 C   0  0  0  0  0  0  0  0  0  6
    1.7678   -1.4132   -0.8719 C   0  0  0  0  0  0  0  0  0  7
    4.7876   -1.4453   -1.0675 C   0  0  0  0  0  0  0  0  0  8
    2.4608    2.3014    0.1008 C   0  0  0  0  0  0  0  0  0  9
    5.1796    0.6571    0.8702 C   0  0  0  0  0  0  0  0  0 10
    6.2101   -0.8942   -0.8191 C   0  0  0  0  0  0  0  0  0 11
    2.8690   -3.6076   -0.3363 C   0  0  0  0  0  0  0  0  0 12
    6.2463    0.2733    0.1584 C   0  0  0  0  0  0  0  0  0 13
    1.7310    2.3189    1.4622 C   0  0  0  0  0  0  0  0  0 14
    3.6385    3.3054    0.1575 C   0  0  0  0  0  0  0  0  0 15
    7.5448    0.9942    0.3686 C   0  0  0  0  0  0  0  0  0 16
    4.6430   -2.0127    1.0000 H   0  0  0  0  0  0  0  0  0 17
    3.3206   -0.0053    1.7230 H   0  0  0  0  0  0  0  0  0 18
    3.3278    0.8268   -1.2845 H   0  0  0  0  0  0  0  0  0 19
    1.0474    0.0063    0.5924 H   0  0  0  0  0  0  0  0  0 20
    0.8608    0.5374   -1.0966 H   0  0  0  0  0  0  0  0  0 21
    2.2617   -1.3896   -1.8433 H   0  0  0  0  0  0  0  0  0 22
    0.8142   -1.9335   -0.9611 H   0  0  0  0  0  0  0  0  0 23
    4.8494   -2.4575   -1.4671 H   0  0  0  0  0  0  0  0  0 24
    4.2634   -0.8053   -1.7772 H   0  0  0  0  0  0  0  0  0 25
    1.7688    2.6704   -0.6691 H   0  0  0  0  0  0  0  0  0 26
    5.2964    1.4810    1.5742 H   0  0  0  0  0  0  0  0  0 27
    6.8268   -1.6988   -0.4186 H   0  0  0  0  0  0  0  0  0 28
    6.6217   -0.5598   -1.7714 H   0  0  0  0  0  0  0  0  0 29
    3.3623   -3.6066   -1.3083 H   0  0  0  0  0  0  0  0  0 30
    1.9024   -4.1043   -0.4206 H   0  0  0  0  0  0  0  0  0 31
    3.4891   -4.1403    0.3847 H   0  0  0  0  0  0  0  0  0 32
    1.1398   -2.6168    1.3316 H   0  0  0  0  0  0  0  0  0 33
    1.4673    3.3445    1.7205 H   0  0  0  0  0  0  0  0  0 34
    2.3853    1.9079    2.2310 H   0  0  0  0  0  0  0  0  0 35
    0.8247    1.7167    1.3969 H   0  0  0  0  0  0  0  0  0 36
    3.2636    4.2907    0.4345 H   0  0  0  0  0  0  0  0  0 37
    4.1166    3.3610   -0.8205 H   0  0  0  0  0  0  0  0  0 38
    4.3653    2.9723    0.8984 H   0  0  0  0  0  0  0  0  0 39
    8.3082    0.5654   -0.2805 H   0  0  0  0  0  0  0  0  0 40
    7.8536    0.8915    1.4089 H   0  0  0  0  0  0  0  0  0 41
    7.4174    2.0502    0.1304 H   0  0  0  0  0  0  0  0  0 42
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  1 33  1  0  0  0
  2  3  1  0  0  0
  2  5  1  0  0  0
  2  8  1  0  0  0
  2 17  1  0  0  0
  3  4  1  0  0  0
  3 10  1  0  0  0
  3 18  1  0  0  0
  4  6  1  0  0  0
  4  9  1  0  0  0
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  5  7  1  0  0  0
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  6  7  1  0  0  0
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  8 24  1  0  0  0
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  9 26  1  0  0  0
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 11 13  1  0  0  0
 11 28  1  0  0  0
 11 29  1  0  0  0
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 16 41  1  0  0  0
 16 42  1  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
3084331

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
292

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
1

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
1

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceBwIAAAAAAAAAAAAAAAAAAAAAAAAAAwQAAAAAAAAACAAAAAGgAACAAADUSAgAACAAAAAgCAAiBCAAAAAAAgAAAACAAAAAgAAAIAAQAAQAAEgAAIAAOAwPAOgAAAAAAAAADAAAYAADAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
(1S,4S,4aR,8aS)-4-isopropyl-1,6-dimethyl-3,4,4a,7,8,8a-hexahydro-2H-naphthalen-1-ol

> <PUBCHEM_IUPAC_CAS_NAME>
(1S,4S,4aR,8aS)-1,6-dimethyl-4-propan-2-yl-3,4,4a,7,8,8a-hexahydro-2H-naphthalen-1-ol

> <PUBCHEM_IUPAC_NAME>
(1S,4S,4aR,8aS)-1,6-dimethyl-4-propan-2-yl-3,4,4a,7,8,8a-hexahydro-2H-naphthalen-1-ol

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
(1S,4S,4aR,8aS)-1,6-dimethyl-4-propan-2-yl-3,4,4a,7,8,8a-hexahydro-2H-naphthalen-1-ol

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(1S,4S,4aR,8aS)-4-isopropyl-1,6-dimethyl-3,4,4a,7,8,8a-hexahydro-2H-naphthalen-1-ol

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C15H26O/c1-10(2)12-7-8-15(4,16)14-6-5-11(3)9-13(12)14/h9-10,12-14,16H,5-8H2,1-4H3/t12-,13-,14-,15-/m0/s1

> <PUBCHEM_IUPAC_INCHIKEY>
LHYHMMRYTDARSZ-AJNGGQMLSA-N

> <PUBCHEM_XLOGP3_AA>
3.3

> <PUBCHEM_EXACT_MASS>
222.198

> <PUBCHEM_MOLECULAR_FORMULA>
C15H26O

> <PUBCHEM_MOLECULAR_WEIGHT>
222.366

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1=CC2C(CCC(C2CC1)(C)O)C(C)C

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC1=C[C@H]2[C@@H](CC[C@]([C@H]2CC1)(C)O)C(C)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>
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>
5  1  5
2  17  5
3  18  5
4  9  5

$$$$
