5280795
 OpenBabel05082101102D

 72 74  0  0  1  0  0  0  0  0999 V2000
    2.0000   -4.8465    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.1535    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.4103    1.4582    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.4641    0.1535    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.9939    0.6535    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4103   -0.1512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.6535    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7210    2.4087    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.5981   -0.3465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    2.1535    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.1535    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.1535    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6995    2.6150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0531    3.1530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.3465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0102    3.5655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9887    3.7717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.8465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2993    4.7222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.8465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -3.3465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2778    4.9284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6315    5.4665    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -3.3465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -4.3465    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.5981   -4.3465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -4.8465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -2.8465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2500    1.5901    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5540   -0.6917    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4548    0.2388    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4548    1.0682    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1593   -0.7182    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9477   -0.4605    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9966    2.1284    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1996    2.1284    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1143    2.2809    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0841    2.1535    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    2.7735    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8441    2.1535    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5200    1.7361    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1215    1.0458    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1215    0.2611    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5200   -0.4291    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7201    1.9953    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3133    2.5276    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5146    3.5671    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6391    3.6145    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5917    2.7390    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -1.6565    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9896    4.1851    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3963    3.6528    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0092    3.1520    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6025    3.6843    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951   -1.5365    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4919    5.3115    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6540   -2.7639    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2554   -3.4542    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4057    4.3218    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8845    5.0563    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1500    5.5351    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0929    5.8806    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2174    5.9280    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1700    5.0524    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -4.9665    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8101   -4.9291    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2087   -4.2388    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3335   -5.3215    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1306   -5.3215    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -3.1565    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -2.2265    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -5.4665    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 72  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  7  1  0  0  0  0
  2 10  1  1  0  0  0
  3  5  1  0  0  0  0
  3  8  1  0  0  0  0
  3 29  1  6  0  0  0
  4  6  1  0  0  0  0
  4  9  1  0  0  0  0
  4 30  1  6  0  0  0
  5  6  1  0  0  0  0
  5 31  1  0  0  0  0
  5 32  1  0  0  0  0
  6 33  1  0  0  0  0
  6 34  1  0  0  0  0
  7 11  1  0  0  0  0
  7 35  1  0  0  0  0
  7 36  1  0  0  0  0
  8 13  1  0  0  0  0
  8 14  1  0  0  0  0
  8 37  1  1  0  0  0
  9 12  1  0  0  0  0
  9 15  2  0  0  0  0
 10 38  1  0  0  0  0
 10 39  1  0  0  0  0
 10 40  1  0  0  0  0
 11 12  1  0  0  0  0
 11 41  1  0  0  0  0
 11 42  1  0  0  0  0
 12 43  1  0  0  0  0
 12 44  1  0  0  0  0
 13 16  1  0  0  0  0
 13 45  1  0  0  0  0
 13 46  1  0  0  0  0
 14 47  1  0  0  0  0
 14 48  1  0  0  0  0
 14 49  1  0  0  0  0
 15 18  1  0  0  0  0
 15 50  1  0  0  0  0
 16 17  1  0  0  0  0
 16 51  1  0  0  0  0
 16 52  1  0  0  0  0
 17 19  1  0  0  0  0
 17 53  1  0  0  0  0
 17 54  1  0  0  0  0
 18 20  2  0  0  0  0
 18 55  1  0  0  0  0
 19 22  1  0  0  0  0
 19 23  1  0  0  0  0
 19 56  1  0  0  0  0
 20 21  1  0  0  0  0
 20 24  1  0  0  0  0
 21 25  1  0  0  0  0
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 23 64  1  0  0  0  0
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 24 28  2  0  0  0  0
 25  1  1  0  0  0  0
 25 27  1  0  0  0  0
 25 65  1  1  0  0  0
 26 27  1  0  0  0  0
 26 66  1  0  0  0  0
 26 67  1  0  0  0  0
 27 68  1  0  0  0  0
 27 69  1  0  0  0  0
 28 70  1  0  0  0  0
 28 71  1  0  0  0  0
M  END
>  <PUBCHEM_COMPOUND_CID>
5280795

>  <PUBCHEM_COMPOUND_CANONICALIZED>
1

>  <PUBCHEM_CACTVS_COMPLEXITY>
610

>  <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
1

>  <PUBCHEM_CACTVS_HBOND_DONOR>
1

>  <PUBCHEM_CACTVS_ROTATABLE_BOND>
6

>  <PUBCHEM_CACTVS_SUBSKEYS>
AAADcfB4IAAAAAAAAAAAAAAAAAAAAYAAAAAwYAAAAAAAAGAAAAAAGgAACAAADxSggAICAAAAAgCAAiBCAAAAAAAgAAAACAAAAAgIEAIAAQAAQAAEwAAIgAOAwMAPgAAAAAAAAAAAAAAAACAAAQAACAAAAA==

>  <PUBCHEM_IUPAC_OPENEYE_NAME>
(1S,3Z)-3-[(2E)-2-[(1R,3aS,7aR)-1-[(1R)-1,5-dimethylhexyl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylene-cyclohexanol

>  <PUBCHEM_IUPAC_CAS_NAME>
(1S,3Z)-3-[(2E)-2-[(1R,3aS,7aR)-7a-methyl-1-[(2R)-6-methylheptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylene-1-cyclohexanol

>  <PUBCHEM_IUPAC_NAME_MARKUP>
(1<I>S</I>,3<I>Z</I>)-3-[(2<I>E</I>)-2-[(1<I>R</I>,3<I>a</I><I>S</I>,7<I>a</I><I>R</I>)-7<I>a</I>-methyl-1-[(2<I>R</I>)-6-methylheptan-2-yl]-2,3,3<I>a</I>,5,6,7-hexahydro-1<I>H</I>-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol

>  <PUBCHEM_IUPAC_NAME>
(1S,3Z)-3-[(2E)-2-[(1R,3aS,7aR)-7a-methyl-1-[(2R)-6-methylheptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol

>  <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
(1S,3Z)-3-[(2E)-2-[(1R,3aS,7aR)-7a-methyl-1-[(2R)-6-methylheptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexan-1-ol

>  <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(1S,3Z)-3-[(2E)-2-[(1R,3aS,7aR)-1-[(1R)-1,5-dimethylhexyl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylene-cyclohexanol

>  <PUBCHEM_IUPAC_INCHI>
InChI=1S/C27H44O/c1-19(2)8-6-9-21(4)25-15-16-26-22(10-7-17-27(25,26)5)12-13-23-18-24(28)14-11-20(23)3/h12-13,19,21,24-26,28H,3,6-11,14-18H2,1-2,4-5H3/b22-12+,23-13-/t21-,24+,25-,26+,27-/m1/s1

>  <PUBCHEM_IUPAC_INCHIKEY>
QYSXJUFSXHHAJI-YRZJJWOYSA-N

>  <PUBCHEM_XLOGP3_AA>
7.9

>  <PUBCHEM_EXACT_MASS>
384.339216

>  <PUBCHEM_MOLECULAR_FORMULA>
C27H44O

>  <PUBCHEM_MOLECULAR_WEIGHT>
384.6

>  <PUBCHEM_OPENEYE_CAN_SMILES>
CC(C)CCCC(C)C1CCC2C1(CCCC2=CC=C3CC(CCC3=C)O)C

>  <PUBCHEM_OPENEYE_ISO_SMILES>
C[C@H](CCCC(C)C)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](CCC3=C)O)C

>  <PUBCHEM_CACTVS_TPSA>
20.2

>  <PUBCHEM_MONOISOTOPIC_WEIGHT>
384.339216

>  <PUBCHEM_TOTAL_CHARGE>
0

>  <PUBCHEM_HEAVY_ATOM_COUNT>
28

>  <PUBCHEM_ATOM_DEF_STEREO_COUNT>
5

>  <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

>  <PUBCHEM_BOND_DEF_STEREO_COUNT>
2

>  <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>
25  1  6
2  10  5
3  29  6
4  30  6
8  14  6

$$$$
