59966036
  -OEChem-05102417532D

 57 57  0     1  0  0  0  0  0999 V2000
    7.3301    4.3450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000   -3.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000   -4.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8660   -2.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8660   -4.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7320   -3.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7320   -4.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -3.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5000   -2.2890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8660   -1.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5981   -2.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5981   -4.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7320   -1.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7320   -0.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8660    0.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5981    0.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3301    3.3450    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.4641    2.8450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5981    1.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1962    2.8450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4641    1.8450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5981    3.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0622    3.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3894   -4.0473    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7880   -4.7376    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4675   -5.1300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2646   -5.1300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.5350    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3800   -3.1550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -3.7750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0369   -1.9790    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1900   -1.7520    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9631   -2.5990    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3291   -1.3450    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9081   -3.1919    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1350   -2.3450    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2881   -2.1181    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2881   -5.1919    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1350   -4.9650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9081   -4.1181    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2690   -1.4650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1760    0.8819    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3291    0.6550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5560   -0.1919    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1350    0.0350    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8671    3.6550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0611    1.6550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7976    2.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5947    2.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0010    1.5350    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9081    3.8819    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0611    3.6550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2881    2.8081    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3722    2.8081    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5991    3.6550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7522    3.8819    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8671    4.6550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 17  1  0  0  0  0
  1 57  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  8  1  0  0  0  0
  2  9  1  0  0  0  0
  3  5  1  0  0  0  0
  3 24  1  0  0  0  0
  3 25  1  0  0  0  0
  4  6  1  0  0  0  0
  4 10  2  0  0  0  0
  5  7  1  0  0  0  0
  5 26  1  0  0  0  0
  5 27  1  0  0  0  0
  6  7  2  0  0  0  0
  6 11  1  0  0  0  0
  7 12  1  0  0  0  0
  8 28  1  0  0  0  0
  8 29  1  0  0  0  0
  8 30  1  0  0  0  0
  9 31  1  0  0  0  0
  9 32  1  0  0  0  0
  9 33  1  0  0  0  0
 10 13  1  0  0  0  0
 10 34  1  0  0  0  0
 11 35  1  0  0  0  0
 11 36  1  0  0  0  0
 11 37  1  0  0  0  0
 12 38  1  0  0  0  0
 12 39  1  0  0  0  0
 12 40  1  0  0  0  0
 13 14  2  0  0  0  0
 13 41  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 15 42  1  0  0  0  0
 15 43  1  0  0  0  0
 15 44  1  0  0  0  0
 16 19  2  0  0  0  0
 16 45  1  0  0  0  0
 17 18  1  0  0  0  0
 17 20  1  0  0  0  0
 17 46  1  0  0  0  0
 18 21  2  0  0  0  0
 18 22  1  0  0  0  0
 19 21  1  0  0  0  0
 19 47  1  0  0  0  0
 20 23  1  0  0  0  0
 20 48  1  0  0  0  0
 20 49  1  0  0  0  0
 21 50  1  0  0  0  0
 22 51  1  0  0  0  0
 22 52  1  0  0  0  0
 22 53  1  0  0  0  0
 23 54  1  0  0  0  0
 23 55  1  0  0  0  0
 23 56  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
59966036

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
565

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
1

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
5

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcfB4IAAAAAAAAAAAAAAAAAAAAAAAAAAgAAAAAAAAAAAAAAAAGgAACAAADhSggAICAAAAAgCAAiBCAAAAAAAgAAAICAAAAAgIFAIAAQAAUAAAgAAIkAMAgIAPAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
(4E,6E,8E,10Z)-4,8-dimethyl-10-(2,3,6,6-tetramethylcyclohex-2-en-1-ylidene)deca-4,6,8-trien-3-ol

> <PUBCHEM_IUPAC_CAS_NAME>
(4E,6E,8E,10Z)-4,8-dimethyl-10-(2,3,6,6-tetramethyl-1-cyclohex-2-enylidene)-3-deca-4,6,8-trienol

> <PUBCHEM_IUPAC_NAME_MARKUP>
(4<I>E</I>,6<I>E</I>,8<I>E</I>,10<I>Z</I>)-4,8-dimethyl-10-(2,3,6,6-tetramethylcyclohex-2-en-1-ylidene)deca-4,6,8-trien-3-ol

> <PUBCHEM_IUPAC_NAME>
(4E,6E,8E,10Z)-4,8-dimethyl-10-(2,3,6,6-tetramethylcyclohex-2-en-1-ylidene)deca-4,6,8-trien-3-ol

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
(4E,6E,8E,10Z)-4,8-dimethyl-10-(2,3,6,6-tetramethylcyclohex-2-en-1-ylidene)deca-4,6,8-trien-3-ol

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(4E,6E,8E,10Z)-4,8-dimethyl-10-(2,3,6,6-tetramethylcyclohex-2-en-1-ylidene)deca-4,6,8-trien-3-ol

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C22H34O/c1-8-21(23)18(4)11-9-10-16(2)12-13-20-19(5)17(3)14-15-22(20,6)7/h9-13,21,23H,8,14-15H2,1-7H3/b10-9+,16-12+,18-11+,20-13+

> <PUBCHEM_IUPAC_INCHIKEY>
QYQWYVMCVBVRQW-MTLORSBJSA-N

> <PUBCHEM_XLOGP3_AA>
6.1

> <PUBCHEM_EXACT_MASS>
314.260965704

> <PUBCHEM_MOLECULAR_FORMULA>
C22H34O

> <PUBCHEM_MOLECULAR_WEIGHT>
314.5

> <PUBCHEM_OPENEYE_CAN_SMILES>
CCC(C(=CC=CC(=CC=C1C(=C(CCC1(C)C)C)C)C)C)O

> <PUBCHEM_OPENEYE_ISO_SMILES>
CCC(/C(=C/C=C/C(=C/C=C/1\C(=C(CCC1(C)C)C)C)/C)/C)O

> <PUBCHEM_CACTVS_TPSA>
20.2

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
314.260965704

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
23

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
1

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
4

> <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>
17  1  3

$$$$