6433191
 OpenBabel05082101102D

 83 85  0  0  1  0  0  0  0  0999 V2000
    4.4641    2.7968    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    2.7968    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.1962    3.7968    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.3301    2.2968    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.0901    4.3315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    2.7968    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.0901    2.2621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    4.2968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    3.7968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9962    3.8176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9962    2.7760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    1.7968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    1.2968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5800    5.2032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5801    5.1916    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9641    1.9308    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.7968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.2032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.7032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.2032    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.5981   -3.7032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.7032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.2032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -4.7032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -3.7032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -5.2032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -4.7032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.2032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5981   -3.7032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0981   -2.8372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -3.2032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1914    4.4168    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7932    1.9868    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6855    1.7924    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4837    1.7831    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7287    4.7717    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9316    4.7717    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2520    4.3794    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8535    3.6891    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6070    3.7115    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2052    4.4013    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2052    2.1923    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6070    2.8821    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5762    1.7968    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    1.1768    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8162    1.7968    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5422    0.7142    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9407    1.4045    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1205    4.8994    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8838    5.7437    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0396    5.5070    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1134    5.5078    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2639    5.7250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0468    4.8754    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4272    2.2408    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6541    1.3938    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8535    0.6891    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1541    3.3337    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -0.5132    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -2.8932    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8101   -2.2858    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2087   -1.5955    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5200   -1.6206    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1215   -2.3109    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8101   -5.2858    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2087   -4.5955    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3335   -5.6781    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1306   -5.6781    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2554   -4.5955    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6540   -5.2858    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0420    0.3337    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951    0.1068    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4220   -0.7401    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5981   -4.3232    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2181   -3.7032    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5981   -3.0832    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    5.4081   -2.3002    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5611   -2.5272    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.5832    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -3.5132    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 60  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 12  1  1  0  0  0
  3  5  1  0  0  0  0
  3  8  1  0  0  0  0
  3 32  1  0  0  0  0
  4  6  1  0  0  0  0
  4 13  1  0  0  0  0
  4 33  1  0  0  0  0
  5 10  1  0  0  0  0
  5 14  1  0  0  0  0
  5 15  1  0  0  0  0
  6  1  1  6  0  0  0
  6  9  1  0  0  0  0
  6 16  1  0  0  0  0
  7 11  1  0  0  0  0
  7 34  1  0  0  0  0
  7 35  1  0  0  0  0
  8  9  1  0  0  0  0
  8 36  1  0  0  0  0
  8 37  1  0  0  0  0
  9 38  1  0  0  0  0
  9 39  1  0  0  0  0
 10 11  1  0  0  0  0
 10 40  1  0  0  0  0
 10 41  1  0  0  0  0
 11 42  1  0  0  0  0
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 12 44  1  0  0  0  0
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 13 47  1  0  0  0  0
 13 48  1  0  0  0  0
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 14 51  1  0  0  0  0
 15 52  1  0  0  0  0
 15 53  1  0  0  0  0
 15 54  1  0  0  0  0
 16 55  1  0  0  0  0
 16 56  1  0  0  0  0
 16 57  1  0  0  0  0
 17 18  1  0  0  0  0
 17 58  1  0  0  0  0
 17 59  1  0  0  0  0
 18 19  2  0  0  0  0
 18 61  1  0  0  0  0
 19 22  1  0  0  0  0
 19 28  1  0  0  0  0
 20 21  1  0  0  0  0
 20 23  1  0  0  0  0
 20 25  1  0  0  0  0
 20 62  1  6  0  0  0
 21 24  1  0  0  0  0
 21 29  1  0  0  0  0
 21 30  1  0  0  0  0
 22 23  1  0  0  0  0
 22 63  1  0  0  0  0
 22 64  1  0  0  0  0
 23 65  1  0  0  0  0
 23 66  1  0  0  0  0
 24 26  1  0  0  0  0
 24 67  1  0  0  0  0
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 25 27  1  0  0  0  0
 25 31  2  0  0  0  0
 26 27  1  0  0  0  0
 26 69  1  0  0  0  0
 26 70  1  0  0  0  0
 27 71  1  0  0  0  0
 27 72  1  0  0  0  0
 28 73  1  0  0  0  0
 28 74  1  0  0  0  0
 28 75  1  0  0  0  0
 29 76  1  0  0  0  0
 29 77  1  0  0  0  0
 29 78  1  0  0  0  0
 30 79  1  0  0  0  0
 30 80  1  0  0  0  0
 30 81  1  0  0  0  0
 31 82  1  0  0  0  0
 31 83  1  0  0  0  0
M  END
>  <PUBCHEM_COMPOUND_CID>
6433191

>  <PUBCHEM_COMPOUND_CANONICALIZED>
1

>  <PUBCHEM_CACTVS_COMPLEXITY>
683

>  <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
1

>  <PUBCHEM_CACTVS_HBOND_DONOR>
1

>  <PUBCHEM_CACTVS_ROTATABLE_BOND>
6

>  <PUBCHEM_CACTVS_SUBSKEYS>
AAADcfB4IAAAAAAAAAAAAAAAAAAAAAAAAAAwYMAAAAAAAADAAAAAGgAACAAAD0SAgAACAAAAAgCAAiBCAAAAAAAgAAAACAAAAAgAAAIAAQAAQAAEgAAIAAOAwPAPgAAAAAAAAADAAAYAADAAAAAAAAAAAA==

>  <PUBCHEM_IUPAC_OPENEYE_NAME>
(2R,8aS)-1-[(E)-6-[(1S)-2,2-dimethyl-6-methylene-cyclohexyl]-4-methyl-hex-3-enyl]-2,5,5,8a-tetramethyl-decalin-2-ol

>  <PUBCHEM_IUPAC_CAS_NAME>
(2R,8aS)-1-[(E)-6-[(1S)-2,2-dimethyl-6-methylenecyclohexyl]-4-methylhex-3-enyl]-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-2-ol

>  <PUBCHEM_IUPAC_NAME_MARKUP>
(2<I>R</I>,8<I>a</I><I>S</I>)-1-[(<I>E</I>)-6-[(1<I>S</I>)-2,2-dimethyl-6-methylidenecyclohexyl]-4-methylhex-3-enyl]-2,5,5,8<I>a</I>-tetramethyl-3,4,4<I>a</I>,6,7,8-hexahydro-1<I>H</I>-naphthalen-2-ol

>  <PUBCHEM_IUPAC_NAME>
(2R,8aS)-1-[(E)-6-[(1S)-2,2-dimethyl-6-methylidenecyclohexyl]-4-methylhex-3-enyl]-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-2-ol

>  <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
(2R,8aS)-1-[(E)-6-[(1S)-2,2-dimethyl-6-methylidene-cyclohexyl]-4-methyl-hex-3-enyl]-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-2-ol

>  <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(2R,8aS)-1-[(E)-6-[(1S)-2,2-dimethyl-6-methylene-cyclohexyl]-4-methyl-hex-3-enyl]-2,5,5,8a-tetramethyl-decalin-2-ol

>  <PUBCHEM_IUPAC_INCHI>
InChI=1S/C30H52O/c1-22(15-16-24-23(2)13-10-18-27(24,3)4)12-9-14-26-29(7)20-11-19-28(5,6)25(29)17-21-30(26,8)31/h12,24-26,31H,2,9-11,13-21H2,1,3-8H3/b22-12+/t24-,25?,26?,29+,30-/m1/s1

>  <PUBCHEM_IUPAC_INCHIKEY>
BIADSXOKHZFLSN-YEUOVSOVSA-N

>  <PUBCHEM_XLOGP3_AA>
9.6

>  <PUBCHEM_EXACT_MASS>
428.401816

>  <PUBCHEM_MOLECULAR_FORMULA>
C30H52O

>  <PUBCHEM_MOLECULAR_WEIGHT>
428.7

>  <PUBCHEM_OPENEYE_CAN_SMILES>
CC(=CCCC1C2(CCCC(C2CCC1(C)O)(C)C)C)CCC3C(=C)CCCC3(C)C

>  <PUBCHEM_OPENEYE_ISO_SMILES>
C/C(=C\CCC1[C@]2(CCCC(C2CC[C@@]1(C)O)(C)C)C)/CC[C@@H]3C(=C)CCCC3(C)C

>  <PUBCHEM_CACTVS_TPSA>
20.2

>  <PUBCHEM_MONOISOTOPIC_WEIGHT>
428.401816

>  <PUBCHEM_TOTAL_CHARGE>
0

>  <PUBCHEM_HEAVY_ATOM_COUNT>
31

>  <PUBCHEM_ATOM_DEF_STEREO_COUNT>
3

>  <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
2

>  <PUBCHEM_BOND_DEF_STEREO_COUNT>
1

>  <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>
6  1  6
2  12  5
20  23  5
3  8  3
4  13  3

$$$$
