10987385
  -OEChem-04182407552D

 39 41  0     1  0  0  0  0  0999 V2000
    4.2387   -0.6922    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.7382   -1.5675    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.8650   -1.0633    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3727   -0.1922    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.2195   -0.8991    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.4139   -2.3078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1048   -0.1922    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3275   -1.8956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3727    0.8078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3632   -1.9283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.5615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1048    0.8078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9610   -0.2282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2387    1.3078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2387    2.3078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2055   -2.2298    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5521    0.0295    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7989   -1.1197    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9145   -2.6753    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7268   -2.8430    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3168   -0.7748    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7154   -0.0845    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5217   -2.4844    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9334   -1.7644    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8358    1.1178    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8269   -1.6172    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0521   -2.4646    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8995   -2.2394    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3111   -0.0252    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4637   -0.2504    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6889   -1.0978    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7154    0.7001    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3168    1.3904    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3770   -0.6880    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4208    0.1878    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5451    0.2316    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8588    2.3078    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2387    2.9278    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6188    2.3078    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  4  1  0  0  0  0
  1  5  1  0  0  0  0
  1  7  1  1  0  0  0
  2  3  1  0  0  0  0
  2  6  1  0  0  0  0
  2 16  1  1  0  0  0
  3  4  1  0  0  0  0
  3 10  1  0  0  0  0
  3 11  1  0  0  0  0
  4  9  1  0  0  0  0
  4 17  1  6  0  0  0
  5  8  1  0  0  0  0
  5 13  1  6  0  0  0
  5 18  1  0  0  0  0
  6  8  1  0  0  0  0
  6 19  1  0  0  0  0
  6 20  1  0  0  0  0
  7 12  1  0  0  0  0
  7 21  1  0  0  0  0
  7 22  1  0  0  0  0
  8 23  1  0  0  0  0
  8 24  1  0  0  0  0
  9 14  2  0  0  0  0
  9 25  1  0  0  0  0
 10 26  1  0  0  0  0
 10 27  1  0  0  0  0
 10 28  1  0  0  0  0
 11 29  1  0  0  0  0
 11 30  1  0  0  0  0
 11 31  1  0  0  0  0
 12 14  1  0  0  0  0
 12 32  1  0  0  0  0
 12 33  1  0  0  0  0
 13 34  1  0  0  0  0
 13 35  1  0  0  0  0
 13 36  1  0  0  0  0
 14 15  1  0  0  0  0
 15 37  1  0  0  0  0
 15 38  1  0  0  0  0
 15 39  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
10987385

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
323

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
0

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceBwAAAAAAAAAAAAAAAAAABgAYAAAAAgAAAABgAQAAAAAAAAGAAAAAAADwCAAAACAAAAAACAAiBCAAAAAAAgAAAACAAAAAgAAAIAAQAAAAAAgAAIAAMAgMAPgAAAAAAAAAAAAAAAAAAAAQAACAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
(1R,2R,5R,7R)-2,6,6,9-tetramethyltricyclo[5.4.0.01,5]undec-8-ene

> <PUBCHEM_IUPAC_CAS_NAME>
(1R,2R,5R,7R)-2,6,6,9-tetramethyltricyclo[5.4.0.01,5]undec-8-ene

> <PUBCHEM_IUPAC_NAME_MARKUP>
(1<I>R</I>,2<I>R</I>,5<I>R</I>,7<I>R</I>)-2,6,6,9-tetramethyltricyclo[5.4.0.0<SUP>1,5</SUP>]undec-8-ene

> <PUBCHEM_IUPAC_NAME>
(1R,2R,5R,7R)-2,6,6,9-tetramethyltricyclo[5.4.0.01,5]undec-8-ene

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
(1R,2R,5R,7R)-2,6,6,9-tetramethyltricyclo[5.4.0.01,5]undec-8-ene

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(1R,2R,5R,7R)-2,6,6,9-tetramethyltricyclo[5.4.0.01,5]undec-8-ene

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C15H24/c1-10-7-8-15-11(2)5-6-12(15)14(3,4)13(15)9-10/h9,11-13H,5-8H2,1-4H3/t11-,12-,13-,15-/m1/s1

> <PUBCHEM_IUPAC_INCHIKEY>
BWAXOYJGXIEEOE-RGCMKSIDSA-N

> <PUBCHEM_XLOGP3_AA>
4.6

> <PUBCHEM_EXACT_MASS>
204.187800766

> <PUBCHEM_MOLECULAR_FORMULA>
C15H24

> <PUBCHEM_MOLECULAR_WEIGHT>
204.35

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1CCC2C13CCC(=CC3C2(C)C)C

> <PUBCHEM_OPENEYE_ISO_SMILES>
C[C@@H]1CC[C@H]2[C@@]13CCC(=C[C@@H]3C2(C)C)C

> <PUBCHEM_CACTVS_TPSA>
0

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
204.187800766

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
15

> <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>
1  7  5
2  16  5
4  17  6
5  13  6

$$$$