94334
  -OEChem-04082404292D

 42 43  0     1  0  0  0  0  0999 V2000
    2.0463   -0.2307    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1379    0.7032    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0319   -0.8315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1379   -0.2968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0319    1.2379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3561    1.3267    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9380   -0.3176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9380    0.7240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3812    1.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9473    0.2032    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.1379    1.7032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3561   -0.9203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3812   -0.6978    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5218   -1.7032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5219   -1.6916    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0463    0.6371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4255    1.7169    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6273    1.7076    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8408    1.7133    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0871    1.8853    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1470   -0.9013    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5488   -0.2115    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5488    0.6179    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1470    1.3077    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3812    1.7242    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7767    1.2421    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7579    1.7032    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1379    2.3232    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5179    1.7032    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4941   -1.5247    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7767   -0.8357    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3812   -1.3178    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9814   -2.0070    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8256   -2.2437    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0623   -1.3994    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9886   -1.3754    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2057   -2.2250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0552   -2.0078    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3153    1.1957    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4877    0.9061    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7773    0.0785    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.8489    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
 10  1  1  1  0  0  0
  1 42  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  2 11  1  1  0  0  0
  3  4  1  0  0  0  0
  3  7  1  0  0  0  0
  3 14  1  0  0  0  0
  3 15  1  0  0  0  0
  4 12  2  0  0  0  0
  5  8  1  0  0  0  0
  5 17  1  0  0  0  0
  5 18  1  0  0  0  0
  6  9  1  0  0  0  0
  6 19  1  0  0  0  0
  6 20  1  0  0  0  0
  7  8  1  0  0  0  0
  7 21  1  0  0  0  0
  7 22  1  0  0  0  0
  8 23  1  0  0  0  0
  8 24  1  0  0  0  0
  9 10  1  0  0  0  0
  9 25  1  0  0  0  0
  9 26  1  0  0  0  0
 10 13  1  0  0  0  0
 10 16  1  0  0  0  0
 11 27  1  0  0  0  0
 11 28  1  0  0  0  0
 11 29  1  0  0  0  0
 12 13  1  0  0  0  0
 12 30  1  0  0  0  0
 13 31  1  0  0  0  0
 13 32  1  0  0  0  0
 14 33  1  0  0  0  0
 14 34  1  0  0  0  0
 14 35  1  0  0  0  0
 15 36  1  0  0  0  0
 15 37  1  0  0  0  0
 15 38  1  0  0  0  0
 16 39  1  0  0  0  0
 16 40  1  0  0  0  0
 16 41  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
94334

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
315

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
1

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceBwIAAAAAAAAAAAAAAAAAAAAAAAAAAwAAAABAAAAAAAAAAAGgAACAAADkSAgAACAAAAAgCAAiBCAAAAAAAgAAAACAAAAAgAAAIAAAAAQAAEwAAIAAOAwOAPAAAAAAAAAAAAAAQAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
(7S,9aS)-4,4,7,9a-tetramethyl-1,2,3,6,8,9-hexahydrobenzo[7]annulen-7-ol

> <PUBCHEM_IUPAC_CAS_NAME>
(7S,9aS)-4,4,7,9a-tetramethyl-1,2,3,6,8,9-hexahydrobenzo[7]annulen-7-ol

> <PUBCHEM_IUPAC_NAME_MARKUP>
(7<I>S</I>,9<I>a</I><I>S</I>)-4,4,7,9<I>a</I>-tetramethyl-1,2,3,6,8,9-hexahydrobenzo[7]annulen-7-ol

> <PUBCHEM_IUPAC_NAME>
(7S,9aS)-4,4,7,9a-tetramethyl-1,2,3,6,8,9-hexahydrobenzo[7]annulen-7-ol

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
(7S,9aS)-4,4,7,9a-tetramethyl-1,2,3,6,8,9-hexahydrobenzo[7]annulen-7-ol

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(7S,9aS)-4,4,7,9a-tetramethyl-1,2,3,6,8,9-hexahydrobenzocyclohepten-7-ol

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C15H26O/c1-13(2)7-5-8-14(3)10-11-15(4,16)9-6-12(13)14/h6,16H,5,7-11H2,1-4H3/t14-,15+/m0/s1

> <PUBCHEM_IUPAC_INCHIKEY>
BXGVVQADPFXGHD-LSDHHAIUSA-N

> <PUBCHEM_XLOGP3_AA>
4.1

> <PUBCHEM_EXACT_MASS>
222.198365449

> <PUBCHEM_MOLECULAR_FORMULA>
C15H26O

> <PUBCHEM_MOLECULAR_WEIGHT>
222.37

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1(CCCC2(C1=CCC(CC2)(C)O)C)C

> <PUBCHEM_OPENEYE_ISO_SMILES>
C[C@@]12CCCC(C1=CC[C@@](CC2)(C)O)(C)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>
2

> <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>
10  1  5
2  11  5

$$$$