44154128
 OpenBabel05082101102D

 43 45  0  0  1  0  0  0  0  0999 V2000
    5.0986   -1.0670    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3665   -1.0670    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3665    0.9330    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.3665    1.9330    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.5000    1.4330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2326    0.4330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2326    2.4330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0986    0.9330    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.0986    1.9330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    2.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.5670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0986   -0.0670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3665   -0.0670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9646    0.4330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2326   -1.5670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7326   -2.4330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7326   -2.4330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9416    0.1968    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9416    2.6692    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6311    2.9080    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8340    2.9080    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6355    1.2430    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7092    1.8254    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3106    2.5156    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369    2.6090    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900    2.8360    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    1.9890    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    0.8770    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900    0.0301    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369    0.2570    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7092   -0.1746    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3106    0.5156    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1545    0.5156    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7560   -0.1746    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6546   -0.1039    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5016    0.1230    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2746    0.9699    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1956   -2.7430    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0426   -2.9700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2695   -2.1230    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1956   -2.1230    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4226   -2.9700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2695   -2.7430    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  1  0  0  0  0
  1 15  1  0  0  0  0
  2 13  1  0  0  0  0
  2 15  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3  6  1  0  0  0  0
  3 18  1  6  0  0  0
  4  5  1  0  0  0  0
  4  7  1  0  0  0  0
  4 19  1  6  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6  8  1  0  0  0  0
  6 12  1  0  0  0  0
  6 13  1  0  0  0  0
  7  9  1  0  0  0  0
  7 20  1  0  0  0  0
  7 21  1  0  0  0  0
  8  9  1  0  0  0  0
  8 14  1  0  0  0  0
  8 22  1  6  0  0  0
  9 23  1  0  0  0  0
  9 24  1  0  0  0  0
 10 25  1  0  0  0  0
 10 26  1  0  0  0  0
 10 27  1  0  0  0  0
 11 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
 13 33  1  0  0  0  0
 13 34  1  0  0  0  0
 14 35  1  0  0  0  0
 14 36  1  0  0  0  0
 14 37  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  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
 17 41  1  0  0  0  0
 17 42  1  0  0  0  0
 17 43  1  0  0  0  0
M  END
>  <PUBCHEM_COMPOUND_CID>
44154128

>  <PUBCHEM_COMPOUND_CANONICALIZED>
1

>  <PUBCHEM_CACTVS_COMPLEXITY>
322

>  <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
2

>  <PUBCHEM_CACTVS_HBOND_DONOR>
0

>  <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

>  <PUBCHEM_CACTVS_SUBSKEYS>
AAADceBwMAAAAAAAAAAAAAAAGAAAAAAAAAA0QAAABgAAAAAAAAAAGgAAAAAADwSggAICCAAABAAAAAAAAAAAAAAAAAAAAAAAAAAQAAIAAAAiAAAFAAAEAAGAwPAPgAAAAAAAAACAAAQAACAAAAAAAAAAAA==

>  <PUBCHEM_IUPAC_OPENEYE_NAME>
(1'R,3'R,6'S)-2,2,3',7',7'-pentamethylspiro[1,3-dioxane-5,2'-norcarane]

>  <PUBCHEM_IUPAC_CAS_NAME>
(1'R,3'R,6'S)-2,2,3',7',7'-pentamethylspiro[1,3-dioxane-5,2'-bicyclo[4.1.0]heptane]

>  <PUBCHEM_IUPAC_NAME_MARKUP>
(1&apos;<I>R</I>,3&apos;<I>R</I>,6&apos;<I>S</I>)-2,2,3&apos;,7&apos;,7&apos;-pentamethylspiro[1,3-dioxane-5,2&apos;-bicyclo[4.1.0]heptane]

>  <PUBCHEM_IUPAC_NAME>
(1'R,3'R,6'S)-2,2,3',7',7'-pentamethylspiro[1,3-dioxane-5,2'-bicyclo[4.1.0]heptane]

>  <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
(1'R,3'R,6'S)-2,2,3',7',7'-pentamethylspiro[1,3-dioxane-5,2'-bicyclo[4.1.0]heptane]

>  <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(1'R,3'R,6'S)-2,2,3',7',7'-pentamethylspiro[1,3-dioxane-5,2'-norcarane]

>  <PUBCHEM_IUPAC_INCHI>
InChI=1S/C15H26O2/c1-10-6-7-11-12(13(11,2)3)15(10)8-16-14(4,5)17-9-15/h10-12H,6-9H2,1-5H3/t10-,11+,12-/m1/s1

>  <PUBCHEM_IUPAC_INCHIKEY>
ORHSGDMSYGKJJY-GRYCIOLGSA-N

>  <PUBCHEM_XLOGP3_AA>
3.7

>  <PUBCHEM_EXACT_MASS>
238.19328

>  <PUBCHEM_MOLECULAR_FORMULA>
C15H26O2

>  <PUBCHEM_MOLECULAR_WEIGHT>
238.37

>  <PUBCHEM_OPENEYE_CAN_SMILES>
CC1CCC2C(C2(C)C)C13COC(OC3)(C)C

>  <PUBCHEM_OPENEYE_ISO_SMILES>
C[C@@H]1CC[C@H]2[C@H](C2(C)C)C13COC(OC3)(C)C

>  <PUBCHEM_CACTVS_TPSA>
18.5

>  <PUBCHEM_MONOISOTOPIC_WEIGHT>
238.19328

>  <PUBCHEM_TOTAL_CHARGE>
0

>  <PUBCHEM_HEAVY_ATOM_COUNT>
17

>  <PUBCHEM_ATOM_DEF_STEREO_COUNT>
3

>  <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  18  6
4  19  6
8  14  5

$$$$
