45266518
  -OEChem-05132411362D

 39 42  0     1  0  0  0  0  0999 V2000
    2.2602   -0.6708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1407    0.6823    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3662    0.0275    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.9673    0.0363    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.5873   -0.8382    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.1074    0.9934    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.3440    1.8421    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0014    0.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4780    2.3421    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4163   -0.2790    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.1074   -0.9384    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6439   -1.8782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7582   -1.3974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3594   -0.7211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5766   -2.3421    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4401   -1.7596    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3406   -2.1945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8874    1.8145    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6488    2.3820    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8869    1.5426    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3837    0.2411    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0554    0.9128    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8963    2.5566    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7412    2.9034    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1210    0.1964    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7062   -1.0989    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9468   -1.5373    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5085   -0.7779    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4669   -2.4724    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0282   -1.8055    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1049   -1.9114    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2442   -1.7440    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4115   -0.8833    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8694   -0.3685    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0061   -2.7892    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2096   -2.8418    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6102   -1.6362    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8989   -2.4641    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0710   -2.7528    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  1  8  1  0  0  0  0
  2  6  1  0  0  0  0
  2 10  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3  7  1  0  0  0  0
  3 11  1  1  0  0  0
  4  6  1  0  0  0  0
  4  8  1  0  0  0  0
  5 10  1  0  0  0  0
  5 12  1  0  0  0  0
  5 13  1  0  0  0  0
  6  9  1  0  0  0  0
  6 18  1  6  0  0  0
  7  9  1  0  0  0  0
  7 19  1  0  0  0  0
  7 20  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 14  1  0  0  0  0
 10 25  1  1  0  0  0
 11 26  1  0  0  0  0
 11 27  1  0  0  0  0
 11 28  1  0  0  0  0
 12 15  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
 13 33  1  0  0  0  0
 14 16  2  0  0  0  0
 14 34  1  0  0  0  0
 15 16  1  0  0  0  0
 15 35  1  0  0  0  0
 15 36  1  0  0  0  0
 16 17  1  0  0  0  0
 17 37  1  0  0  0  0
 17 38  1  0  0  0  0
 17 39  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
45266518

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
415

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
2

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceBwMAAAAAAAAAAAAAAAEgAAAYAAAAAkQAAABIAAAACAAAAAGgAAAAAADlSggAICAAAABACAAiBCAAAAAAAgAAAACAAAAAgBBAIAIQACEAAFgAAKIAPA4PwPgAAAAAAAAAAAAAAAAAAAAIAADCAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
(1R,7R,9R)-1,2,5-trimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]

> <PUBCHEM_IUPAC_CAS_NAME>
(1R,7R,9R)-1,2,5-trimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]

> <PUBCHEM_IUPAC_NAME_MARKUP>
(1<I>R</I>,7<I>R</I>,9<I>R</I>)-1,2,5-trimethylspiro[8-oxatricyclo[7.2.1.0<SUP>2,7</SUP>]dodec-5-ene-12,2&apos;-oxirane]

> <PUBCHEM_IUPAC_NAME>
(1R,7R,9R)-1,2,5-trimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
(1R,7R,9R)-1,2,5-trimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(1R,7R,9R)-1,2,5-trimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C15H22O2/c1-10-4-6-13(2)12(8-10)17-11-5-7-14(13,3)15(11)9-16-15/h8,11-12H,4-7,9H2,1-3H3/t11-,12-,13?,14-,15?/m1/s1

> <PUBCHEM_IUPAC_INCHIKEY>
LZAJKCZTKKKZNT-MHVQSMCWSA-N

> <PUBCHEM_XLOGP3_AA>
2.2

> <PUBCHEM_EXACT_MASS>
234.161979940

> <PUBCHEM_MOLECULAR_FORMULA>
C15H22O2

> <PUBCHEM_MOLECULAR_WEIGHT>
234.33

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1=CC2C(CC1)(C3(CCC(C34CO4)O2)C)C

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC1=C[C@@H]2C(CC1)([C@]3(CC[C@H](C34CO4)O2)C)C

> <PUBCHEM_CACTVS_TPSA>
21.8

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
234.161979940

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
17

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
3

> <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>
10  25  5
3  11  5
4  8  3
5  13  3
6  18  6

$$$$