66731260
 OpenBabel05082101102D

 50 53  0  0  1  0  0  0  0  0999 V2000
    3.9570    1.9986    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9535    0.7403    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0068   -1.0202    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.9078   -0.5864    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.5068    1.1704    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.1303    0.3886    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9000    0.1565    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5068    1.1704    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.1428   -2.0050    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.1058   -0.5864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8833    0.3886    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.5929   -1.3066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1211   -2.1816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7882    1.1416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0498   -0.0045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8253    2.1183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4212   -2.6973    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9990    1.7333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.7782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7330    2.6973    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6736   -0.2176    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9680    1.8844    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4922    0.6235    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3299   -0.0873    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5572   -1.8015    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4858   -0.5864    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9679   -1.1908    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4159   -0.0187    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1046   -1.6566    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9947   -0.8345    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9474   -2.7768    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6947   -2.4169    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2551    0.7337    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    1.6086    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3213    1.5496    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8062   -0.5746    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6199   -0.2481    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2935    0.5657    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4130    1.9209    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0228    2.7060    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2376    2.3158    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9920   -2.2499    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9738   -3.1265    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8504   -3.1447    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0278    2.3976    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3806    1.8060    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9722    1.1588    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3306    2.8622    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5680    3.2949    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1353    2.5323    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0  0  0  0
  1 18  1  0  0  0  0
  2 11  1  0  0  0  0
  2 18  1  0  0  0  0
  3  4  1  0  0  0  0
  3  7  1  6  0  0  0
  3  9  1  0  0  0  0
  3 10  1  0  0  0  0
  4  6  1  0  0  0  0
  4 12  1  0  0  0  0
  4 21  1  1  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5  8  1  0  0  0  0
  5 22  1  6  0  0  0
  6 14  1  0  0  0  0
  6 15  1  0  0  0  0
  7 23  1  0  0  0  0
  7 24  1  0  0  0  0
  8 11  1  0  0  0  0
  8 16  1  0  0  0  0
  9 13  1  0  0  0  0
  9 17  1  0  0  0  0
  9 25  1  6  0  0  0
 10 11  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
 12 13  1  0  0  0  0
 12 29  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
 17 42  1  0  0  0  0
 17 43  1  0  0  0  0
 17 44  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
 19 45  1  0  0  0  0
 19 46  1  0  0  0  0
 19 47  1  0  0  0  0
 20 48  1  0  0  0  0
 20 49  1  0  0  0  0
 20 50  1  0  0  0  0
M  END
>  <PUBCHEM_COMPOUND_CID>
66731260

>  <PUBCHEM_COMPOUND_CANONICALIZED>
1

>  <PUBCHEM_CACTVS_COMPLEXITY>
454

>  <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
2

>  <PUBCHEM_CACTVS_HBOND_DONOR>
0

>  <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

>  <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB4MAAAAAAAAAAAAAAAAAAAAaMEAAAwAAAABgAYAEjAAAAAGgAAAAAAD1SggAICCAAABAAAAAAAAAAAAAAAAAAAAAAAAAARAAIAAAAiAAAEAAAGAAGAwPAPgAAAAAAAAADAAAYAADCAAQAACAAAAA==

>  <PUBCHEM_IUPAC_OPENEYE_NAME>
(1R,8R,10S,13R)-5,5,7,9,9,13-hexamethyl-4,6-dioxatetracyclo[6.5.1.01,10.03,7]tetradecane

>  <PUBCHEM_IUPAC_CAS_NAME>
(1R,8R,10S,13R)-5,5,7,9,9,13-hexamethyl-4,6-dioxatetracyclo[6.5.1.01,10.03,7]tetradecane

>  <PUBCHEM_IUPAC_NAME_MARKUP>
(1<I>R</I>,8<I>R</I>,10<I>S</I>,13<I>R</I>)-5,5,7,9,9,13-hexamethyl-4,6-dioxatetracyclo[6.5.1.0<SUP>1,10</SUP>.0<SUP>3,7</SUP>]tetradecane

>  <PUBCHEM_IUPAC_NAME>
(1R,8R,10S,13R)-5,5,7,9,9,13-hexamethyl-4,6-dioxatetracyclo[6.5.1.01,10.03,7]tetradecane

>  <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
(1R,8R,10S,13R)-5,5,7,9,9,13-hexamethyl-4,6-dioxatetracyclo[6.5.1.01,10.03,7]tetradecane

>  <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(1R,8R,10S,13R)-5,5,7,9,9,13-hexamethyl-4,6-dioxatetracyclo[6.5.1.01,10.03,7]tetradecane

>  <PUBCHEM_IUPAC_INCHI>
InChI=1S/C18H30O2/c1-11-7-8-12-15(2,3)13-9-18(11,12)10-14-17(13,6)20-16(4,5)19-14/h11-14H,7-10H2,1-6H3/t11-,12+,13-,14?,17?,18-/m1/s1

>  <PUBCHEM_IUPAC_INCHIKEY>
YJVLDTISLGRQTJ-KPFXUCSBSA-N

>  <PUBCHEM_XLOGP3_AA>
4.5

>  <PUBCHEM_EXACT_MASS>
278.22458

>  <PUBCHEM_MOLECULAR_FORMULA>
C18H30O2

>  <PUBCHEM_MOLECULAR_WEIGHT>
278.4

>  <PUBCHEM_OPENEYE_CAN_SMILES>
CC1CCC2C13CC(C2(C)C)C4(C(C3)OC(O4)(C)C)C

>  <PUBCHEM_OPENEYE_ISO_SMILES>
C[C@@H]1CC[C@@H]2[C@@]13C[C@H](C2(C)C)C4(C(C3)OC(O4)(C)C)C

>  <PUBCHEM_CACTVS_TPSA>
18.5

>  <PUBCHEM_MONOISOTOPIC_WEIGHT>
278.22458

>  <PUBCHEM_TOTAL_CHARGE>
0

>  <PUBCHEM_HEAVY_ATOM_COUNT>
20

>  <PUBCHEM_ATOM_DEF_STEREO_COUNT>
4

>  <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
2

>  <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>
11  10  3
3  10  5
4  21  5
5  22  6
8  16  3
9  17  5

$$$$
