37839
  -OEChem-05112410332D

 37 39  0     1  0  0  0  0  0999 V2000
    7.5709   -1.5673    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5709    1.1648    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2049   -1.2013    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0709   -0.7013    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.3388   -0.7013    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0712   -1.7017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3388    0.2987    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.3926   -1.0060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8090   -0.2013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3926    0.6035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0709    0.2987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3388   -1.7013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2049    0.7987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0709   -0.7013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.3865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.7890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5709    1.1648    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0750   -0.2763    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8590   -2.2843    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6817   -1.8093    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2489    1.1440    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8552   -1.3152    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6437   -1.5729    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6437    1.1704    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8552    0.9127    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0288   -1.1643    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8019   -2.0113    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6489   -2.2382    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2049    1.4187    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3809   -0.1643    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3644    0.8881    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4984    0.7510    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6356   -0.1151    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6356   -0.2875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4984   -1.1535    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3644   -1.2906    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2609    1.7017    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 14  2  0  0  0  0
  2 17  2  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 12  1  1  0  0  0
  4  6  1  0  0  0  0
  4 11  1  0  0  0  0
  4 14  1  1  0  0  0
  5  7  1  0  0  0  0
  5  8  1  0  0  0  0
  5 18  1  6  0  0  0
  6 19  1  0  0  0  0
  6 20  1  0  0  0  0
  7 10  1  0  0  0  0
  7 13  1  0  0  0  0
  7 21  1  6  0  0  0
  8  9  1  0  0  0  0
  8 22  1  0  0  0  0
  8 23  1  0  0  0  0
  9 10  1  0  0  0  0
  9 15  1  0  0  0  0
  9 16  1  0  0  0  0
 10 24  1  0  0  0  0
 10 25  1  0  0  0  0
 11 13  2  0  0  0  0
 11 17  1  0  0  0  0
 12 26  1  0  0  0  0
 12 27  1  0  0  0  0
 12 28  1  0  0  0  0
 13 29  1  0  0  0  0
 14 30  1  0  0  0  0
 15 31  1  0  0  0  0
 15 32  1  0  0  0  0
 15 33  1  0  0  0  0
 16 34  1  0  0  0  0
 16 35  1  0  0  0  0
 16 36  1  0  0  0  0
 17 37  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
37839

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
434

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
2

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
2

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceBwMAAAAAAAAAAAAAAAGAAAAYAAAAAgAAAABAAAAEAAAAAAGgAAAAAADwCggAICAAAAAACIAihSgAAAAAAgAAAACAEAAEgAABIAAQAAAAAAgAAIAYMJiMCPgAAAAAAAAAAAAAAAAAAAAQAACAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
(1aS,3aS,6aS,6bR)-5,5,6b-trimethyl-3a,4,6,6a-tetrahydro-1H-cyclopropa[e]indene-1a,2-dicarbaldehyde

> <PUBCHEM_IUPAC_CAS_NAME>
(1aS,3aS,6aS,6bR)-5,5,6b-trimethyl-3a,4,6,6a-tetrahydro-1H-cyclopropa[e]indene-1a,2-dicarboxaldehyde

> <PUBCHEM_IUPAC_NAME_MARKUP>
(1<I>a</I><I>S</I>,3<I>a</I><I>S</I>,6<I>a</I><I>S</I>,6<I>b</I><I>R</I>)-5,5,6<I>b</I>-trimethyl-3<I>a</I>,4,6,6<I>a</I>-tetrahydro-1<I>H</I>-cyclopropa[e]indene-1<I>a</I>,2-dicarbaldehyde

> <PUBCHEM_IUPAC_NAME>
(1aS,3aS,6aS,6bR)-5,5,6b-trimethyl-3a,4,6,6a-tetrahydro-1H-cyclopropa[e]indene-1a,2-dicarbaldehyde

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
(1aS,3aS,6aS,6bR)-5,5,6b-trimethyl-3a,4,6,6a-tetrahydro-1H-cyclopropa[e]indene-1a,2-dicarbaldehyde

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(1aS,3aS,6aS,6bR)-5,5,6b-trimethyl-3a,4,6,6a-tetrahydro-1H-cycloprop[e]indene-1a,2-dicarbaldehyde

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C15H20O2/c1-13(2)5-10-4-11(7-16)15(9-17)8-14(15,3)12(10)6-13/h4,7,9-10,12H,5-6,8H2,1-3H3/t10-,12+,14-,15-/m1/s1

> <PUBCHEM_IUPAC_INCHIKEY>
PJAAESPGJOSQGZ-DZGBDDFRSA-N

> <PUBCHEM_XLOGP3_AA>
2.4

> <PUBCHEM_EXACT_MASS>
232.146329876

> <PUBCHEM_MOLECULAR_FORMULA>
C15H20O2

> <PUBCHEM_MOLECULAR_WEIGHT>
232.32

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1(CC2C=C(C3(CC3(C2C1)C)C=O)C=O)C

> <PUBCHEM_OPENEYE_ISO_SMILES>
C[C@]12C[C@]1(C(=C[C@H]3[C@@H]2CC(C3)(C)C)C=O)C=O

> <PUBCHEM_CACTVS_TPSA>
34.1

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
232.146329876

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
17

> <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>
3  12  5
4  14  5
5  18  6
7  21  6

$$$$