7140311
  -OEChem-10112120522D

 30 31  0     1  0  0  0  0  0999 V2000
    1.7611    0.2618    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0803   -2.1937    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0261    0.2706    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.7627    1.2532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2849   -0.6953    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.6272   -0.2382    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.9996   -0.3477    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6576   -1.2874    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.8860   -1.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7673    1.2365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6763    1.6599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6582    2.2477    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5049   -1.5164    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1353   -0.6157    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1940    0.2411    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5854   -0.5509    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2257   -1.7321    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0809   -1.7927    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2920   -1.3819    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1684    1.0760    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6068    1.8354    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3662    1.3970    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4241    2.2263    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2427    1.9121    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9284    1.0935    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0416    2.1829    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5934    2.8643    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2748    2.3125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2242   -0.0482    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6979   -2.2477    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  6  1  1  6  0  0  0
  1 29  1  0  0  0  0
  8  2  1  1  0  0  0
  2 30  1  0  0  0  0
  3  4  1  0  0  0  0
  3  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3 10  1  6  0  0  0
  4  5  1  0  0  0  0
  4 11  1  0  0  0  0
  4 12  1  0  0  0  0
  5  8  1  0  0  0  0
  5  9  1  0  0  0  0
  5 13  1  1  0  0  0
  6  9  1  0  0  0  0
  6 14  1  0  0  0  0
  7  8  1  0  0  0  0
  7 15  1  0  0  0  0
  7 16  1  0  0  0  0
  8 17  1  0  0  0  0
  9 18  1  0  0  0  0
  9 19  1  0  0  0  0
 10 20  1  0  0  0  0
 10 21  1  0  0  0  0
 10 22  1  0  0  0  0
 11 23  1  0  0  0  0
 11 24  1  0  0  0  0
 11 25  1  0  0  0  0
 12 26  1  0  0  0  0
 12 27  1  0  0  0  0
 12 28  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
7140311

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
212

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
2

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceBwMAAAAAAAAAAAAAAAAAAAAYMAAAAwAAAAAAAAAAAAAAAAGgAACAAADxSggAICAAAAAgAAAAAAAAAAAAAAAAAAAAAAAAAAEAIAAAAAQAAEAAAAAAHA4PQPgAAAAAAAAACCAAIAABAAAYAADAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
(1R,2S,4R,5R)-1,7,7-trimethylnorbornane-2,5-diol

> <PUBCHEM_IUPAC_CAS_NAME>
(1R,2S,4R,5R)-1,7,7-trimethylbicyclo[2.2.1]heptane-2,5-diol

> <PUBCHEM_IUPAC_NAME_MARKUP>
(1<I>R</I>,2<I>S</I>,4<I>R</I>,5<I>R</I>)-1,7,7-trimethylbicyclo[2.2.1]heptane-2,5-diol

> <PUBCHEM_IUPAC_NAME>
(1R,2S,4R,5R)-1,7,7-trimethylbicyclo[2.2.1]heptane-2,5-diol

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
(1R,2S,4R,5R)-1,7,7-trimethylbicyclo[2.2.1]heptane-2,5-diol

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(1R,2S,4R,5R)-1,7,7-trimethylnorbornane-2,5-diol

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C10H18O2/c1-9(2)6-4-8(12)10(9,3)5-7(6)11/h6-8,11-12H,4-5H2,1-3H3/t6-,7+,8-,10-/m0/s1

> <PUBCHEM_IUPAC_INCHIKEY>
HLVIHBJQDKVEAL-ODHVRURNSA-N

> <PUBCHEM_XLOGP3_AA>
1.4

> <PUBCHEM_EXACT_MASS>
170.130679813

> <PUBCHEM_MOLECULAR_FORMULA>
C10H18O2

> <PUBCHEM_MOLECULAR_WEIGHT>
170.25

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1(C2CC(C1(CC2O)C)O)C

> <PUBCHEM_OPENEYE_ISO_SMILES>
C[C@@]12C[C@H]([C@@H](C1(C)C)C[C@@H]2O)O

> <PUBCHEM_CACTVS_TPSA>
40.5

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
170.130679813

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
12

> <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>
6  1  6
8  2  5
3  10  6
5  13  5

$$$$
