23308252
 OpenBabel05082101102D

 98 99  0  0  1  0  0  0  0  0999 V2000
    0.6106    3.9140    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6611    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.1249    6.5476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9848    7.5047    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   12.7260    6.5388    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   12.2482    8.4873    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9515    7.1936    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5049    5.6731    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6759    6.2323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9909    7.0476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6249    5.6816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5398    4.6737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4766    8.4140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4766    7.4140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3426    6.9140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6106    6.9140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6106    5.9140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3426    5.9140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4766    5.4140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3426    8.9140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6106    8.9140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4766    4.4140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5271   12.3279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5271   11.3279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5271    4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5271    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3932   12.8279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6611   12.8279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6611   10.8279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3932   10.8279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3932    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6611    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5271    9.3279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6611    9.8279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3932    9.8279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6611    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3932    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6611    2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3932    2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5271    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5271    8.3279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5271    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2048    8.3257    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.5060    5.7177    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.5660    9.0197    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.6350    8.5793    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9465    7.8135    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3372    7.2774    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1010    6.4646    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3848    5.6849    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.3009    6.5106    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.5279    7.3576    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.6809    7.5845    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.0880    5.3716    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.9349    5.1446    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.1618    5.9916    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0140    4.3452    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.0873    4.3826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4766    9.0340    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9532    6.8063    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5547    7.4966    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0736    7.2240    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.0216    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3985    5.3313    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8796    5.6040    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6526    8.3770    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8796    9.2240    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0326    9.4509    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9206    9.4509    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0736    9.2240    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3006    8.3770    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0135    4.1040    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9902   12.0179    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5271    5.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7032   12.2910    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9301   13.1379    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0832   13.3648    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9711   13.3648    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1242   13.1379    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3511   12.2910    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1242   11.1379    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9301   11.1379    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7032    4.4631    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9301    5.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0832    5.5369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9711    5.5369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1242    5.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3511    4.4631    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1242    9.5179    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9301    9.5179    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1242    3.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9301    3.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1242    1.6900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9301    1.6900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1 22  2  0  0  0  0
  2 42  2  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3 10  1  0  0  0  0
  3 11  1  0  0  0  0
  4  6  1  0  0  0  0
  4  7  1  0  0  0  0
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 24 29  2  0  0  0  0
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 25 32  1  0  0  0  0
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 26 37  1  0  0  0  0
 27 75  1  0  0  0  0
 27 76  1  0  0  0  0
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 37 39  2  0  0  0  0
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 39 40  1  0  0  0  0
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 40 42  1  0  0  0  0
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 42 98  1  0  0  0  0
M  END
>  <PUBCHEM_COMPOUND_CID>
23308252

>  <PUBCHEM_COMPOUND_CANONICALIZED>
1

>  <PUBCHEM_CACTVS_COMPLEXITY>
592

>  <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
2

>  <PUBCHEM_CACTVS_HBOND_DONOR>
0

>  <PUBCHEM_CACTVS_ROTATABLE_BOND>
5

>  <PUBCHEM_CACTVS_SUBSKEYS>
AAADcfB8MAAAAAAAAAAAAAAAAABgAAAAAAAwYMGCAAAAAAABQAAAGgAAAAAADwCgmAIyAIAAAACIAihSgAACAAAkAAAIiAEAAMgIIDKAFRCAIQAggAAIiYcIiMCPwAAAAAAAAACAAAAAACAAAAAAAAAAAA==

>  <PUBCHEM_IUPAC_OPENEYE_NAME>
(1R,5S)-6,6-dimethyl-2-methylene-norpinane;4-isopropylbenzaldehyde;4-isopropylcyclohexa-1,4-diene-1-carbaldehyde;1-isopropyl-4-methyl-benzene

>  <PUBCHEM_IUPAC_CAS_NAME>
(1R,5S)-6,6-dimethyl-2-methylenebicyclo[3.1.1]heptane;1-methyl-4-propan-2-ylbenzene;4-propan-2-ylbenzaldehyde;4-propan-2-yl-1-cyclohexa-1,4-dienecarboxaldehyde

>  <PUBCHEM_IUPAC_NAME_MARKUP>
(1<I>R</I>,5<I>S</I>)-6,6-dimethyl-2-methylidenebicyclo[3.1.1]heptane;1-methyl-4-propan-2-ylbenzene;4-propan-2-ylbenzaldehyde;4-propan-2-ylcyclohexa-1,4-diene-1-carbaldehyde

>  <PUBCHEM_IUPAC_NAME>
(1R,5S)-6,6-dimethyl-2-methylidenebicyclo[3.1.1]heptane;1-methyl-4-propan-2-ylbenzene;4-propan-2-ylbenzaldehyde;4-propan-2-ylcyclohexa-1,4-diene-1-carbaldehyde

>  <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
(1R,5S)-6,6-dimethyl-2-methylidene-bicyclo[3.1.1]heptane;1-methyl-4-propan-2-yl-benzene;4-propan-2-ylbenzaldehyde;4-propan-2-ylcyclohexa-1,4-diene-1-carbaldehyde

>  <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(1R,5S)-6,6-dimethyl-2-methylene-norpinane;4-isopropylbenzaldehyde;4-isopropylcyclohexa-1,4-diene-1-carbaldehyde;p-cymene

>  <PUBCHEM_IUPAC_INCHI>
InChI=1S/C10H14O.C10H12O.C10H16.C10H14/c2*1-8(2)10-5-3-9(7-11)4-6-10;1-7-4-5-8-6-9(7)10(8,2)3;1-8(2)10-6-4-9(3)5-7-10/h3,6-8H,4-5H2,1-2H3;3-8H,1-2H3;8-9H,1,4-6H2,2-3H3;4-8H,1-3H3/t;;8-,9+;/m..0./s1

>  <PUBCHEM_IUPAC_INCHIKEY>
SVCMDSOPXZQYHJ-RJSISIMASA-N

>  <PUBCHEM_EXACT_MASS>
568.428031

>  <PUBCHEM_MOLECULAR_FORMULA>
C40H56O2

>  <PUBCHEM_MOLECULAR_WEIGHT>
568.9

>  <PUBCHEM_OPENEYE_CAN_SMILES>
CC1=CC=C(C=C1)C(C)C.CC(C)C1=CCC(=CC1)C=O.CC(C)C1=CC=C(C=C1)C=O.CC1(C2CCC(=C)C1C2)C

>  <PUBCHEM_OPENEYE_ISO_SMILES>
CC1=CC=C(C=C1)C(C)C.CC(C)C1=CCC(=CC1)C=O.CC(C)C1=CC=C(C=C1)C=O.CC1([C@H]2CCC(=C)[C@H]1C2)C

>  <PUBCHEM_CACTVS_TPSA>
34.1

>  <PUBCHEM_MONOISOTOPIC_WEIGHT>
568.428031

>  <PUBCHEM_TOTAL_CHARGE>
0

>  <PUBCHEM_HEAVY_ATOM_COUNT>
42

>  <PUBCHEM_ATOM_DEF_STEREO_COUNT>
2

>  <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>
4

>  <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

>  <PUBCHEM_COORDINATE_TYPE>
1
5
255

>  <PUBCHEM_BONDANNOTATIONS>
24  29  8
24  30  8
26  36  8
26  37  8
29  34  8
30  35  8
33  34  8
33  35  8
36  38  8
37  39  8
38  40  8
39  40  8
4  43  6
5  44  6

$$$$
