15560278
  -OEChem-11232503242D

 39 41  0     1  0  0  0  0  0999 V2000
    4.6660   -0.3341    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.5323   -0.8345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321    0.1659    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.8000    0.1659    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.5321    1.1659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000    1.1659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9061   -0.3688    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.6660    1.6659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5323   -0.8345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0323   -1.7006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000   -0.8341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.1451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9061    1.7006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.1867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9176   -1.3687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2409   -1.0702    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3821    0.1660    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1426    1.0582    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7441    1.7485    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3721   -0.6839    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0646    2.1408    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2675    2.1408    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5323   -1.4545    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1523   -0.8345    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5323   -0.2145    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4954   -1.3906    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7223   -2.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5692   -2.0106    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1800   -0.8341    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000   -1.4541    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4200   -0.8341    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3891    0.2512    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7909   -0.4386    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9132    2.3205    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7909    1.7704    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3891    1.0806    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2977   -1.3759    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9248   -1.9886    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5376   -1.3615    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1 16  1  6  0  0  0
  2  3  1  0  0  0  0
  2  9  1  0  0  0  0
  2 10  1  0  0  0  0
  3  5  1  0  0  0  0
  3 17  1  6  0  0  0
  4  6  1  0  0  0  0
  4  7  1  0  0  0  0
  4 11  1  6  0  0  0
  5  8  1  0  0  0  0
  5 18  1  0  0  0  0
  5 19  1  0  0  0  0
  6  8  1  0  0  0  0
  6 13  2  0  0  0  0
  7 12  1  0  0  0  0
  7 15  1  6  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
  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 14  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
 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>
15560278

> <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>
AAADceBwAAAAAAAAAAAAAAAAGAAAAAAAAAAwQAAABgAAAACAAAAAGAAAAAAADwCAAAACAAAAAACAAiBCAAAAAAAgAAAACAAAAAgAAAIAAQAAAAAAgAAIAAMAgMAPgAAAAAAAAAAAAAQAACAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
(1aR,7R,7aR,7bS)-1,1,7,7a-tetramethyl-2,3,5,6,7,7b-hexahydro-1aH-cyclopropa[a]naphthalene

> <PUBCHEM_IUPAC_CAS_NAME>
(1aR,7R,7aR,7bS)-1,1,7,7a-tetramethyl-2,3,5,6,7,7b-hexahydro-1aH-cyclopropa[a]naphthalene

> <PUBCHEM_IUPAC_NAME_MARKUP>
(1<I>a</I><I>R</I>,7<I>R</I>,7<I>a</I><I>R</I>,7<I>b</I><I>S</I>)-1,1,7,7<I>a</I>-tetramethyl-2,3,5,6,7,7<I>b</I>-hexahydro-1<I>a</I><I>H</I>-cyclopropa[a]naphthalene

> <PUBCHEM_IUPAC_NAME>
(1aR,7R,7aR,7bS)-1,1,7,7a-tetramethyl-2,3,5,6,7,7b-hexahydro-1aH-cyclopropa[a]naphthalene

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
(1aR,7R,7aR,7bS)-1,1,7,7a-tetramethyl-2,3,5,6,7,7b-hexahydro-1aH-cyclopropa[a]naphthalene

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(1aR,7R,7aR,7bS)-1,1,7,7a-tetramethyl-2,3,5,6,7,7b-hexahydro-1aH-cyclopropa[a]naphthalene

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C15H24/c1-10-6-5-7-11-8-9-12-13(14(12,2)3)15(10,11)4/h7,10,12-13H,5-6,8-9H2,1-4H3/t10-,12-,13+,15+/m1/s1

> <PUBCHEM_IUPAC_INCHIKEY>
MBIPADCEHSKJDQ-PBOSXPJTSA-N

> <PUBCHEM_XLOGP3_AA>
4.7

> <PUBCHEM_EXACT_MASS>
204.187800766

> <PUBCHEM_MOLECULAR_FORMULA>
C15H24

> <PUBCHEM_MOLECULAR_WEIGHT>
204.35

> <PUBCHEM_SMILES>
C[C@@H]1CCC=C2[C@]1([C@H]3[C@H](C3(C)C)CC2)C

> <PUBCHEM_CONNECTIVITY_SMILES>
CC1CCC=C2C1(C3C(C3(C)C)CC2)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  16  6
3  17  6
4  11  6
7  15  6

$$$$
