10955174
 OpenBabel05082101102D

 42 44  0  0  1  0  0  0  0  0999 V2000
    4.1657   -1.4523    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5626    1.0510    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.1019   -0.4544    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.1243    0.6240    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.1067   -1.0228    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5067   -0.4319    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.0459    0.2646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8437    1.2532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0574    0.5342    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0455    0.4668    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.1731   -0.8962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6297   -0.2072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0084    1.9461    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4992   -1.8171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4908   -1.9461    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5362    1.3382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4628    1.4038    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8120   -0.9218    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0490    0.8846    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4045   -0.2412    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1186    1.8088    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3482    1.6258    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6876    1.0319    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5247    0.2169    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6624    0.5291    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9002   -1.4529    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7110   -1.2046    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1134   -0.5950    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0596    0.2395    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5634    1.6698    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2847    2.5011    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4534    2.2225    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0067   -1.4405    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1225   -2.3096    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9916   -2.1938    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9184   -2.1843    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7290   -2.5186    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0633   -1.7080    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7214   -1.7274    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0764    1.0339    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8404    1.8784    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9960    1.6424    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 39  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  8  1  0  0  0  0
  2 13  1  6  0  0  0
  3  1  1  6  0  0  0
  3  5  1  0  0  0  0
  3 11  1  0  0  0  0
  4  7  1  0  0  0  0
  4 10  1  0  0  0  0
  4 17  1  1  0  0  0
  5  6  1  0  0  0  0
  5 14  1  0  0  0  0
  5 15  1  0  0  0  0
  6  7  1  0  0  0  0
  6  9  1  0  0  0  0
  6 18  1  1  0  0  0
  7 19  1  0  0  0  0
  7 20  1  0  0  0  0
  8  9  1  0  0  0  0
  8 21  1  0  0  0  0
  8 22  1  0  0  0  0
  9 23  1  0  0  0  0
  9 24  1  0  0  0  0
 10 12  1  0  0  0  0
 10 16  1  0  0  0  0
 10 25  1  6  0  0  0
 11 12  1  0  0  0  0
 11 26  1  0  0  0  0
 11 27  1  0  0  0  0
 12 28  1  0  0  0  0
 12 29  1  0  0  0  0
 13 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 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>
10955174

>  <PUBCHEM_COMPOUND_CANONICALIZED>
1

>  <PUBCHEM_CACTVS_COMPLEXITY>
321

>  <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
1

>  <PUBCHEM_CACTVS_HBOND_DONOR>
1

>  <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

>  <PUBCHEM_CACTVS_SUBSKEYS>
AAADceBwIAAAAAAAAAAAAAAAAAAAAAAAAAAwYMAAAAAYAAAAAAAAGgAACAAAD0SAgAACAAAAAgAAAAAAAAAAAAAAAAAAAAAAAAAAAAIAAAAAQAAEAAAAAAGAwPAPgAAAAAAAAADAAAYAADAAAAAAAAAAAA==

>  <PUBCHEM_IUPAC_OPENEYE_NAME>
(1R,3R,6S,7S,8S)-2,2,6,8-tetramethyltricyclo[5.3.1.03,8]undecan-3-ol

>  <PUBCHEM_IUPAC_CAS_NAME>
(1R,3R,6S,7S,8S)-2,2,6,8-tetramethyl-3-tricyclo[5.3.1.03,8]undecanol

>  <PUBCHEM_IUPAC_NAME_MARKUP>
(1<I>R</I>,3<I>R</I>,6<I>S</I>,7<I>S</I>,8<I>S</I>)-2,2,6,8-tetramethyltricyclo[5.3.1.0<SUP>3,8</SUP>]undecan-3-ol

>  <PUBCHEM_IUPAC_NAME>
(1R,3R,6S,7S,8S)-2,2,6,8-tetramethyltricyclo[5.3.1.03,8]undecan-3-ol

>  <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
(1R,3R,6S,7S,8S)-2,2,6,8-tetramethyltricyclo[5.3.1.03,8]undecan-3-ol

>  <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(1R,3R,6S,7S,8S)-2,2,6,8-tetramethyltricyclo[5.3.1.03,8]undecan-3-ol

>  <PUBCHEM_IUPAC_INCHI>
InChI=1S/C15H26O/c1-10-5-8-15(16)13(2,3)11-6-7-14(15,4)12(10)9-11/h10-12,16H,5-9H2,1-4H3/t10-,11+,12-,14-,15+/m0/s1

>  <PUBCHEM_IUPAC_INCHIKEY>
GGHMUJBZYLPWFD-CUZKYEQNSA-N

>  <PUBCHEM_XLOGP3_AA>
4.1

>  <PUBCHEM_EXACT_MASS>
222.198365

>  <PUBCHEM_MOLECULAR_FORMULA>
C15H26O

>  <PUBCHEM_MOLECULAR_WEIGHT>
222.37

>  <PUBCHEM_OPENEYE_CAN_SMILES>
CC1CCC2(C(C3CCC2(C1C3)C)(C)C)O

>  <PUBCHEM_OPENEYE_ISO_SMILES>
C[C@H]1CC[C@@]2([C@@]3([C@H]1C[C@H](C2(C)C)CC3)C)O

>  <PUBCHEM_CACTVS_TPSA>
20.2

>  <PUBCHEM_MONOISOTOPIC_WEIGHT>
222.198365

>  <PUBCHEM_TOTAL_CHARGE>
0

>  <PUBCHEM_HEAVY_ATOM_COUNT>
16

>  <PUBCHEM_ATOM_DEF_STEREO_COUNT>
5

>  <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>
3  1  6
10  16  5
2  13  6
4  17  5
6  18  5

$$$$
