11323257
 OpenBabel05082101102D

 52 53  0  0  1  0  0  0  0  0999 V2000
    4.5981    1.0468    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.5981    2.0468    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.4920    2.5815    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.5468    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.4920    0.5121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    2.5468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981    2.0676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981    1.0260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.0468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    2.0468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.0468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.4532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9820    3.4532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9820    3.4416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.9532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.5468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.9532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.4532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.4532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -3.4532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5915    2.8968    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951    0.2368    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0874    0.0423    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8856    0.0331    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1306    3.0217    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3335    3.0217    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0089    1.9615    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6071    2.6513    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6071    0.4423    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0089    1.1321    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9781    0.0468    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.5732    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2181    0.0468    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6540    2.6294    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2554    1.9391    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9441   -1.0358    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3426   -0.3455    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5225    3.1494    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2857    3.9937    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4415    3.7570    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5154    3.7578    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6658    3.9750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4487    3.1254    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6540   -0.3706    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2554   -1.0609    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    0.8568    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.0732    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -2.1432    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.0732    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -2.1432    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -3.7632    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -3.7632    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  4  1  0  0  0  0
  1  5  1  0  0  0  0
  1  9  1  1  0  0  0
  2  3  1  0  0  0  0
  2  6  1  0  0  0  0
  2 21  1  6  0  0  0
  3  7  1  0  0  0  0
  3 13  1  0  0  0  0
  3 14  1  0  0  0  0
  4 11  1  0  0  0  0
  4 12  1  0  0  0  0
  4 22  1  6  0  0  0
  5  8  1  0  0  0  0
  5 23  1  0  0  0  0
  5 24  1  0  0  0  0
  6 10  1  0  0  0  0
  6 25  1  0  0  0  0
  6 26  1  0  0  0  0
  7  8  1  0  0  0  0
  7 27  1  0  0  0  0
  7 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 11  1  0  0  0  0
 10 34  1  0  0  0  0
 10 35  1  0  0  0  0
 11 16  2  0  0  0  0
 12 15  1  0  0  0  0
 12 36  1  0  0  0  0
 12 37  1  0  0  0  0
 13 38  1  0  0  0  0
 13 39  1  0  0  0  0
 13 40  1  0  0  0  0
 14 41  1  0  0  0  0
 14 42  1  0  0  0  0
 14 43  1  0  0  0  0
 15 17  1  0  0  0  0
 15 44  1  0  0  0  0
 15 45  1  0  0  0  0
 16 46  1  0  0  0  0
 16 47  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  2  0  0  0  0
 18 20  2  0  0  0  0
 18 48  1  0  0  0  0
 19 49  1  0  0  0  0
 19 50  1  0  0  0  0
 20 51  1  0  0  0  0
 20 52  1  0  0  0  0
M  END
>  <PUBCHEM_COMPOUND_CID>
11323257

>  <PUBCHEM_COMPOUND_CANONICALIZED>
1

>  <PUBCHEM_CACTVS_COMPLEXITY>
412

>  <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
0

>  <PUBCHEM_CACTVS_HBOND_DONOR>
0

>  <PUBCHEM_CACTVS_ROTATABLE_BOND>
4

>  <PUBCHEM_CACTVS_SUBSKEYS>
AAADcfB4AAAAAAAAAAAAAAAAAAAAAAAAAAAwYAAAAAAAAADAAAAAGAAAAAAADwCAAAACAAAAAACAAiBCAAAAAAAgAAAIAAAAAAgIAAIAAQAAAAAAgAAAAAEAgMAPgAAAAAAAAAAAAAQAACAAAAAAAAAAAA==

>  <PUBCHEM_IUPAC_OPENEYE_NAME>
(4aS,5S,8aS)-1,1,4a-trimethyl-6-methylene-5-(3-methylenepent-4-enyl)decalin

>  <PUBCHEM_IUPAC_CAS_NAME>
(4aS,8S,8aS)-4,4,8a-trimethyl-7-methylene-8-(3-methylenepent-4-enyl)-2,3,4a,5,6,8-hexahydro-1H-naphthalene

>  <PUBCHEM_IUPAC_NAME_MARKUP>
(4<I>a</I><I>S</I>,8<I>S</I>,8<I>a</I><I>S</I>)-4,4,8<I>a</I>-trimethyl-7-methylidene-8-(3-methylidenepent-4-enyl)-2,3,4<I>a</I>,5,6,8-hexahydro-1<I>H</I>-naphthalene

>  <PUBCHEM_IUPAC_NAME>
(4aS,8S,8aS)-4,4,8a-trimethyl-7-methylidene-8-(3-methylidenepent-4-enyl)-2,3,4a,5,6,8-hexahydro-1H-naphthalene

>  <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
(4aS,8S,8aS)-4,4,8a-trimethyl-7-methylidene-8-(3-methylidenepent-4-enyl)-2,3,4a,5,6,8-hexahydro-1H-naphthalene

>  <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(4aS,5S,8aS)-1,1,4a-trimethyl-6-methylene-5-(3-methylenepent-4-enyl)decalin

>  <PUBCHEM_IUPAC_INCHI>
InChI=1S/C20H32/c1-7-15(2)9-11-17-16(3)10-12-18-19(4,5)13-8-14-20(17,18)6/h7,17-18H,1-3,8-14H2,4-6H3/t17-,18-,20+/m0/s1

>  <PUBCHEM_IUPAC_INCHIKEY>
KYLKKZSVPLUGCC-CMKODMSKSA-N

>  <PUBCHEM_XLOGP3_AA>
7.5

>  <PUBCHEM_EXACT_MASS>
272.250401

>  <PUBCHEM_MOLECULAR_FORMULA>
C20H32

>  <PUBCHEM_MOLECULAR_WEIGHT>
272.5

>  <PUBCHEM_OPENEYE_CAN_SMILES>
CC1(CCCC2(C1CCC(=C)C2CCC(=C)C=C)C)C

>  <PUBCHEM_OPENEYE_ISO_SMILES>
C[C@]12CCCC([C@@H]1CCC(=C)[C@@H]2CCC(=C)C=C)(C)C

>  <PUBCHEM_CACTVS_TPSA>
0

>  <PUBCHEM_MONOISOTOPIC_WEIGHT>
272.250401

>  <PUBCHEM_TOTAL_CHARGE>
0

>  <PUBCHEM_HEAVY_ATOM_COUNT>
20

>  <PUBCHEM_ATOM_DEF_STEREO_COUNT>
3

>  <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>
1  9  5
2  21  6
4  12  5

$$$$
