11877394
  -OEChem-06062401582D

 42 43  0     1  0  0  0  0  0999 V2000
    2.6200   -1.6040    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9860    0.7621    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.9860   -0.2379    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.1200   -0.7379    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8800   -0.7726    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8800    1.2967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1200    1.2621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7860   -0.2587    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.2540   -0.2379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7860    0.7829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2540    0.7621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9860    1.7621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6200   -1.6040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6501   -0.7621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5181   -0.2654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6463   -1.7621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9795   -1.0879    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4754   -1.2424    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2736   -1.2516    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2736    1.7758    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4754    1.7665    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5185    1.7370    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7215    1.7370    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7824   -0.8787    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6434   -0.1303    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0419   -0.8205    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3969    0.6768    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9951    1.3666    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0419    1.3447    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6434    0.6544    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6060    1.7621    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9860    2.3821    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3660    1.7621    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0831   -1.9140    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9300   -2.1409    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1569   -1.2940    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.6040    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8260   -0.8035    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0562    0.0425    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2101    0.2727    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1081   -2.0700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1820   -2.0741    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  4  1  1  1  0  0  0
  1 37  1  0  0  0  0
  2  3  1  0  0  0  0
  2  6  1  0  0  0  0
  2  7  1  0  0  0  0
  2 12  1  1  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3 17  1  6  0  0  0
  4  9  1  0  0  0  0
  4 13  1  0  0  0  0
  5  8  1  0  0  0  0
  5 18  1  0  0  0  0
  5 19  1  0  0  0  0
  6 10  1  0  0  0  0
  6 20  1  0  0  0  0
  6 21  1  0  0  0  0
  7 11  1  0  0  0  0
  7 22  1  0  0  0  0
  7 23  1  0  0  0  0
  8 10  1  0  0  0  0
  8 14  1  1  0  0  0
  8 24  1  0  0  0  0
  9 11  1  0  0  0  0
  9 25  1  0  0  0  0
  9 26  1  0  0  0  0
 10 27  1  0  0  0  0
 10 28  1  0  0  0  0
 11 29  1  0  0  0  0
 11 30  1  0  0  0  0
 12 31  1  0  0  0  0
 12 32  1  0  0  0  0
 12 33  1  0  0  0  0
 13 34  1  0  0  0  0
 13 35  1  0  0  0  0
 13 36  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  2  0  0  0  0
 15 38  1  0  0  0  0
 15 39  1  0  0  0  0
 15 40  1  0  0  0  0
 16 41  1  0  0  0  0
 16 42  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
11877394

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
296

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
1

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
1

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceBwIAAAAAAAAAAAAAAAAAAAAAAAAAAwYAAAAAAAAADAAAAAGgAACAAAD0SAgAACAAAAAgCAAgBCAAAAAAAgAAAAAAAAAAgAAAIAAQAAQAAEgAAAAAGAwPAPgAAAAAAAAACAAAYAADAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
(1S,4aR,7R,8aR)-7-isopropenyl-1,4a-dimethyl-decalin-1-ol

> <PUBCHEM_IUPAC_CAS_NAME>
(1S,4aR,7R,8aR)-1,4a-dimethyl-7-(1-methylethenyl)-2,3,4,5,6,7,8,8a-octahydronaphthalen-1-ol

> <PUBCHEM_IUPAC_NAME_MARKUP>
(1<I>S</I>,4<I>a</I><I>R</I>,7<I>R</I>,8<I>a</I><I>R</I>)-1,4<I>a</I>-dimethyl-7-prop-1-en-2-yl-2,3,4,5,6,7,8,8<I>a</I>-octahydronaphthalen-1-ol

> <PUBCHEM_IUPAC_NAME>
(1S,4aR,7R,8aR)-1,4a-dimethyl-7-prop-1-en-2-yl-2,3,4,5,6,7,8,8a-octahydronaphthalen-1-ol

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
(1S,4aR,7R,8aR)-1,4a-dimethyl-7-prop-1-en-2-yl-2,3,4,5,6,7,8,8a-octahydronaphthalen-1-ol

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(1S,4aR,7R,8aR)-7-isopropenyl-1,4a-dimethyl-decalin-1-ol

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C15H26O/c1-11(2)12-6-9-14(3)7-5-8-15(4,16)13(14)10-12/h12-13,16H,1,5-10H2,2-4H3/t12-,13-,14-,15+/m1/s1

> <PUBCHEM_IUPAC_INCHIKEY>
DPQYOKVMVCQHMY-TUVASFSCSA-N

> <PUBCHEM_XLOGP3_AA>
4.5

> <PUBCHEM_EXACT_MASS>
222.198365449

> <PUBCHEM_MOLECULAR_FORMULA>
C15H26O

> <PUBCHEM_MOLECULAR_WEIGHT>
222.37

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC(=C)C1CCC2(CCCC(C2C1)(C)O)C

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC(=C)[C@@H]1CC[C@]2(CCC[C@]([C@@H]2C1)(C)O)C

> <PUBCHEM_CACTVS_TPSA>
20.2

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
222.198365449

> <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>
4  1  5
2  12  5
3  17  6
8  14  5

$$$$