160799
  DSViewer          3D                             0

 42 43  0  0  0  0  0  0  0  0999 V2000
    2.3534   -2.1904    1.3204 O   0  0  0  0  0  0  0  0  0  1
    3.9724   -1.3437   -0.2725 C   0  0  2  0  0  0  0  0  0  2
    3.8696    0.0690    0.3479 C   0  0  2  0  0  0  0  0  0  3
    2.6806    0.8834   -0.3586 C   0  0  1  0  0  0  0  0  0  4
    2.6425   -2.0920   -0.0749 C   0  0  2  0  0  0  0  0  0  5
    1.3758    0.0741   -0.1759 C   0  0  0  0  0  0  0  0  0  6
    1.5123   -1.3325   -0.7799 C   0  0  0  0  0  0  0  0  0  7
    5.0921   -2.0944    0.4393 C   0  0  0  0  0  0  0  0  0  8
    2.3648    2.3399    0.2198 C   0  0  0  0  0  0  0  0  0  9
    5.2188    0.7469    0.2270 C   0  0  0  0  0  0  0  0  0 10
    6.4394   -1.4266    0.1106 C   0  0  0  0  0  0  0  0  0 11
    2.7530   -3.5056   -0.6769 C   0  0  0  0  0  0  0  0  0 12
    6.3738    0.0830    0.1387 C   0  0  0  0  0  0  0  0  0 13
    1.9885    2.2487    1.7156 C   0  0  0  0  0  0  0  0  0 14
    3.5032    3.3771    0.0571 C   0  0  0  0  0  0  0  0  0 15
    7.6473    0.8654    0.0122 C   0  0  0  0  0  0  0  0  0 16
    4.1957   -1.2771   -1.3465 H   0  0  0  0  0  0  0  0  0 17
    3.6394   -0.0461    1.4145 H   0  0  0  0  0  0  0  0  0 18
    2.9064    0.9728   -1.4300 H   0  0  0  0  0  0  0  0  0 19
    1.1572   -0.0145    0.8882 H   0  0  0  0  0  0  0  0  0 20
    0.5590    0.5977   -0.6728 H   0  0  0  0  0  0  0  0  0 21
    1.7400   -1.2495   -1.8426 H   0  0  0  0  0  0  0  0  0 22
    0.5757   -1.8747   -0.6498 H   0  0  0  0  0  0  0  0  0 23
    4.9238   -2.0644    1.5158 H   0  0  0  0  0  0  0  0  0 24
    5.1075   -3.1309    0.1022 H   0  0  0  0  0  0  0  0  0 25
    1.4995    2.7310   -0.3335 H   0  0  0  0  0  0  0  0  0 26
    5.2484    1.8364    0.2112 H   0  0  0  0  0  0  0  0  0 27
    7.1774   -1.7556    0.8421 H   0  0  0  0  0  0  0  0  0 28
    6.7491   -1.7420   -0.8858 H   0  0  0  0  0  0  0  0  0 29
    2.9736   -3.4314   -1.7417 H   0  0  0  0  0  0  0  0  0 30
    1.8105   -4.0351   -0.5377 H   0  0  0  0  0  0  0  0  0 31
    3.5534   -4.0520   -0.1778 H   0  0  0  0  0  0  0  0  0 32
    1.4999   -2.6731    1.4460 H   0  0  0  0  0  0  0  0  0 33
    1.7755    3.2467    2.0986 H   0  0  0  0  0  0  0  0  0 34
    2.8184    1.8153    2.2738 H   0  0  0  0  0  0  0  0  0 35
    1.1057    1.6198    1.8310 H   0  0  0  0  0  0  0  0  0 36
    3.1895    4.3311    0.4809 H   0  0  0  0  0  0  0  0  0 37
    3.7285    3.5070   -1.0015 H   0  0  0  0  0  0  0  0  0 38
    4.3939    3.0244    0.5771 H   0  0  0  0  0  0  0  0  0 39
    8.4916    0.1789   -0.0485 H   0  0  0  0  0  0  0  0  0 40
    7.7660    1.5104    0.8829 H   0  0  0  0  0  0  0  0  0 41
    7.6109    1.4764   -0.8898 H   0  0  0  0  0  0  0  0  0 42
  5  1  1  0  0  0
  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
  4 19  1  0  0  0
  5  7  1  0  0  0
  5 12  1  0  0  0
  6  7  1  0  0  0
  6 20  1  0  0  0
  6 21  1  0  0  0
  7 22  1  0  0  0
  7 23  1  0  0  0
  8 11  1  0  0  0
  8 24  1  0  0  0
  8 25  1  0  0  0
  9 14  1  0  0  0
  9 15  1  0  0  0
  9 26  1  0  0  0
 10 13  2  0  0  0
 10 27  1  0  0  0
 11 13  1  0  0  0
 11 28  1  0  0  0
 11 29  1  0  0  0
 12 30  1  0  0  0
 12 31  1  0  0  0
 12 32  1  0  0  0
 13 16  1  0  0  0
 14 34  1  0  0  0
 14 35  1  0  0  0
 14 36  1  0  0  0
 15 37  1  0  0  0
 15 38  1  0  0  0
 15 39  1  0  0  0
 16 40  1  0  0  0
 16 41  1  0  0  0
 16 42  1  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
160799

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

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

> <PUBCHEM_IUPAC_NAME>
(1S,4S,4aR,8aR)-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,8aR)-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,8aR)-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-XQLPTFJDSA-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  6
3  18  5
4  9  5

$$$$
