10398656
  DSViewer          3D                             0

 42 43  0  0  0  0  0  0  0  0999 V2000
    2.3342   -3.0985   -0.5686 O   0  0  0  0  0  0  0  0  0  1
    3.9239   -1.2442   -0.2860 C   0  0  2  0  0  0  0  0  0  2
    3.9617    0.0864    0.3504 C   0  0  2  0  0  0  0  0  0  3
    2.7648    0.9177   -0.4688 C   0  0  1  0  0  0  0  0  0  4
    2.5638   -1.9600    0.2594 C   0  0  1  0  0  0  0  0  0  5
    1.4941   -0.0318   -0.7522 C   0  0  0  0  0  0  0  0  0  6
    1.3475   -0.9645    0.3375 C   0  0  0  0  0  0  0  0  0  7
    5.1013   -2.1184    0.0871 C   0  0  0  0  0  0  0  0  0  8
    2.3450    2.3256    0.2089 C   0  0  0  0  0  0  0  0  0  9
    5.3057    0.7573    0.1927 C   0  0  0  0  0  0  0  0  0 10
    6.3825   -1.4288   -0.4346 C   0  0  0  0  0  0  0  0  0 11
    2.7009   -2.4507    1.7269 C   0  0  0  0  0  0  0  0  0 12
    6.4055    0.0749   -0.1518 C   0  0  0  0  0  0  0  0  0 13
    1.7721    2.1526    1.6365 C   0  0  0  0  0  0  0  0  0 14
    3.4959    3.3531    0.2976 C   0  0  0  0  0  0  0  0  0 15
    7.6960    0.8220   -0.3135 C   0  0  0  0  0  0  0  0  0 16
    3.9365   -1.0539   -1.3716 H   0  0  0  0  0  0  0  0  0 17
    3.7726   -0.0602    1.4156 H   0  0  0  0  0  0  0  0  0 18
    3.1228    1.1305   -1.4850 H   0  0  0  0  0  0  0  0  0 19
    0.5943    0.5780   -0.8337 H   0  0  0  0  0  0  0  0  0 20
    1.6481   -0.5790   -1.6822 H   0  0  0  0  0  0  0  0  0 21
    0.4097   -1.5112    0.2383 H   0  0  0  0  0  0  0  0  0 22
    1.3598   -0.4328    1.2890 H   0  0  0  0  0  0  0  0  0 23
    5.1536   -2.2279    1.1704 H   0  0  0  0  0  0  0  0  0 24
    4.9949   -3.1007   -0.3732 H   0  0  0  0  0  0  0  0  0 25
    1.5665    2.7739   -0.4242 H   0  0  0  0  0  0  0  0  0 26
    5.3830    1.8309    0.3648 H   0  0  0  0  0  0  0  0  0 27
    7.2455   -1.8868    0.0487 H   0  0  0  0  0  0  0  0  0 28
    6.4455   -1.5811   -1.5120 H   0  0  0  0  0  0  0  0  0 29
    2.8774   -1.5969    2.3810 H   0  0  0  0  0  0  0  0  0 30
    3.5383   -3.1444    1.8018 H   0  0  0  0  0  0  0  0  0 31
    1.7832   -2.9556    2.0289 H   0  0  0  0  0  0  0  0  0 32
    1.5254   -3.5734   -0.2561 H   0  0  0  0  0  0  0  0  0 33
    1.5072    3.1286    2.0430 H   0  0  0  0  0  0  0  0  0 34
    2.5215    1.6849    2.2750 H   0  0  0  0  0  0  0  0  0 35
    0.8836    1.5223    1.5980 H   0  0  0  0  0  0  0  0  0 36
    3.1313    4.2685    0.7637 H   0  0  0  0  0  0  0  0  0 37
    3.8618    3.5771   -0.7044 H   0  0  0  0  0  0  0  0  0 38
    4.3075    2.9395    0.8963 H   0  0  0  0  0  0  0  0  0 39
    8.4868    0.1260   -0.5933 H   0  0  0  0  0  0  0  0  0 40
    7.9560    1.3071    0.6275 H   0  0  0  0  0  0  0  0  0 41
    7.5845    1.5766   -1.0921 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>
10398656

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

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

> <PUBCHEM_IUPAC_NAME>
(1R,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>
(1R,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>
(1R,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-BYNSBNAKSA-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  6
2  17  6
3  18  5
4  9  5

$$$$
