6429131
  -OEChem-04232404242D

 40 41  0     1  0  0  0  0  0999 V2000
    6.3465   -1.8765    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.3419    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.4641    0.6581    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.3580   -0.8766    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.5981   -0.8419    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.1581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641   -0.3627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3580    1.1928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641    0.6789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.3419    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.6581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.3419    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.1581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3465    2.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.6581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    2.1581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4593    1.2781    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8920   -1.1917    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1996   -1.3168    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9966   -1.3168    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9966    1.6330    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1996    1.6330    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4732   -0.9464    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8750   -0.2566    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8750    0.5728    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4732    1.2626    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8441   -1.3419    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.9619    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0841   -1.3419    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951   -0.6519    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    1.4681    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8798   -2.1927    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8798    2.5089    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8060    2.4965    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900    1.1950    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    0.3481    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100    0.1212    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4860    2.1581    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    2.7781    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2460    2.1581    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  4  1  1  1  0  0  0
  1 32  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2 10  1  1  0  0  0
  3  6  1  0  0  0  0
  3  8  1  0  0  0  0
  3 17  1  0  0  0  0
  4  7  1  0  0  0  0
  4 18  1  0  0  0  0
  5 12  1  0  0  0  0
  5 19  1  0  0  0  0
  5 20  1  0  0  0  0
  6 11  1  0  0  0  0
  6 21  1  0  0  0  0
  6 22  1  0  0  0  0
  7  9  1  0  0  0  0
  7 23  1  0  0  0  0
  7 24  1  0  0  0  0
  8  9  1  0  0  0  0
  8 14  2  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
 10 29  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 12 30  1  0  0  0  0
 13 15  1  0  0  0  0
 13 16  1  0  0  0  0
 13 31  1  0  0  0  0
 14 33  1  0  0  0  0
 14 34  1  0  0  0  0
 15 35  1  0  0  0  0
 15 36  1  0  0  0  0
 15 37  1  0  0  0  0
 16 38  1  0  0  0  0
 16 39  1  0  0  0  0
 16 40  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
6429131

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
326

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
1

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
1

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceBwIAAAAAAAAAAAAAAAAAAAAAAAAAAwQAAAAAAAAACAAAAAGgAACAAADxSggAICAAAAAgCAAiBCAAAAAAAgAAAACAAAAAgAEAIAAQAAQAAEgAAIAAOAwPAPgAAAAAAAAAAAAAIAADAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
(1R,8aR)-6-isopropyl-8a-methyl-4-methylene-1,2,3,4a,5,8-hexahydronaphthalen-1-ol

> <PUBCHEM_IUPAC_CAS_NAME>
(1R,8aR)-8a-methyl-4-methylene-6-propan-2-yl-1,2,3,4a,5,8-hexahydronaphthalen-1-ol

> <PUBCHEM_IUPAC_NAME_MARKUP>
(1<I>R</I>,8<I>a</I><I>R</I>)-8<I>a</I>-methyl-4-methylidene-6-propan-2-yl-1,2,3,4<I>a</I>,5,8-hexahydronaphthalen-1-ol

> <PUBCHEM_IUPAC_NAME>
(1R,8aR)-8a-methyl-4-methylidene-6-propan-2-yl-1,2,3,4a,5,8-hexahydronaphthalen-1-ol

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
(1R,8aR)-8a-methyl-4-methylidene-6-propan-2-yl-1,2,3,4a,5,8-hexahydronaphthalen-1-ol

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(1R,8aR)-6-isopropyl-8a-methyl-4-methylene-1,2,3,4a,5,8-hexahydronaphthalen-1-ol

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C15H24O/c1-10(2)12-7-8-15(4)13(9-12)11(3)5-6-14(15)16/h7,10,13-14,16H,3,5-6,8-9H2,1-2,4H3/t13?,14-,15-/m1/s1

> <PUBCHEM_IUPAC_INCHIKEY>
FGPDTARJOXRWJD-JVIGXAJISA-N

> <PUBCHEM_XLOGP3_AA>
3

> <PUBCHEM_EXACT_MASS>
220.182715385

> <PUBCHEM_MOLECULAR_FORMULA>
C15H24O

> <PUBCHEM_MOLECULAR_WEIGHT>
220.35

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC(C)C1=CCC2(C(CCC(=C)C2C1)O)C

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC(C)C1=CC[C@]2([C@@H](CCC(=C)C2C1)O)C

> <PUBCHEM_CACTVS_TPSA>
20.2

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
220.182715385

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
16

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
2

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
1

> <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  10  5
3  6  3

$$$$