442393
 OpenBabel05082101102D

 39 40  0  0  1  0  0  0  0  0999 V2000
    5.4641   -0.7673    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.4641    0.2327    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.5981   -1.2673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.7327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3580   -1.3020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.2327    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.7320   -0.7673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3580    0.7674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641   -0.7881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.7673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641    0.2535    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.7327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3465    1.7673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.2327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.7327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4576    1.0827    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1996   -1.7422    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9966   -1.7422    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9966    1.2076    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1996    1.2076    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9534   -1.7718    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7517   -1.7810    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.8527    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1215   -0.6596    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5200   -1.3499    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4732   -1.3718    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8750   -0.6820    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8441   -1.7673    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -2.3873    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0841   -1.7673    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8750    0.1474    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4732    0.8372    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8798    2.0835    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8060    2.0711    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900    0.7696    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -0.0773    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100   -0.3042    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    2.0427    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291    2.0427    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  5  1  0  0  0  0
  1 10  1  1  0  0  0
  2  4  1  0  0  0  0
  2  8  1  0  0  0  0
  2 16  1  6  0  0  0
  3  7  1  0  0  0  0
  3 17  1  0  0  0  0
  3 18  1  0  0  0  0
  4  6  1  0  0  0  0
  4 19  1  0  0  0  0
  4 20  1  0  0  0  0
  5  9  1  0  0  0  0
  5 21  1  0  0  0  0
  5 22  1  0  0  0  0
  6  7  1  0  0  0  0
  6 12  1  0  0  0  0
  6 23  1  6  0  0  0
  7 24  1  0  0  0  0
  7 25  1  0  0  0  0
  8 11  1  0  0  0  0
  8 13  2  0  0  0  0
  9 11  1  0  0  0  0
  9 26  1  0  0  0  0
  9 27  1  0  0  0  0
 10 28  1  0  0  0  0
 10 29  1  0  0  0  0
 10 30  1  0  0  0  0
 11 31  1  0  0  0  0
 11 32  1  0  0  0  0
 12 14  1  0  0  0  0
 12 15  2  0  0  0  0
 13 33  1  0  0  0  0
 13 34  1  0  0  0  0
 14 35  1  0  0  0  0
 14 36  1  0  0  0  0
 14 37  1  0  0  0  0
 15 38  1  0  0  0  0
 15 39  1  0  0  0  0
M  END
>  <PUBCHEM_COMPOUND_CID>
442393

>  <PUBCHEM_COMPOUND_CANONICALIZED>
1

>  <PUBCHEM_CACTVS_COMPLEXITY>
286

>  <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
0

>  <PUBCHEM_CACTVS_HBOND_DONOR>
0

>  <PUBCHEM_CACTVS_ROTATABLE_BOND>
1

>  <PUBCHEM_CACTVS_SUBSKEYS>
AAADceBwAAAAAAAAAAAAAAAAAAAAAAAAAAAwYAAAAAAAAADAAAAAGAAAAAAADwCAAAACAAAAAACAAgBCAAAAAAAgAAAAAAAAAAgAAAIAAQAAAAAAgAAAAAEAgMAPgAAAAAAAAACAAAQAACAAAAAAAAAAAA==

>  <PUBCHEM_IUPAC_OPENEYE_NAME>
(4aR,7R,8aS)-7-isopropenyl-4a-methyl-1-methylene-decalin

>  <PUBCHEM_IUPAC_CAS_NAME>
(3R,4aS,8aR)-8a-methyl-5-methylene-3-(1-methylethenyl)-1,2,3,4,4a,6,7,8-octahydronaphthalene

>  <PUBCHEM_IUPAC_NAME_MARKUP>
(3<I>R</I>,4<I>a</I><I>S</I>,8<I>a</I><I>R</I>)-8<I>a</I>-methyl-5-methylidene-3-prop-1-en-2-yl-1,2,3,4,4<I>a</I>,6,7,8-octahydronaphthalene

>  <PUBCHEM_IUPAC_NAME>
(3R,4aS,8aR)-8a-methyl-5-methylidene-3-prop-1-en-2-yl-1,2,3,4,4a,6,7,8-octahydronaphthalene

>  <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
(3R,4aS,8aR)-8a-methyl-5-methylidene-3-prop-1-en-2-yl-1,2,3,4,4a,6,7,8-octahydronaphthalene

>  <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(4aR,7R,8aS)-7-isopropenyl-4a-methyl-1-methylene-decalin

>  <PUBCHEM_IUPAC_INCHI>
InChI=1S/C15H24/c1-11(2)13-7-9-15(4)8-5-6-12(3)14(15)10-13/h13-14H,1,3,5-10H2,2,4H3/t13-,14+,15-/m1/s1

>  <PUBCHEM_IUPAC_INCHIKEY>
YOVSPTNQHMDJAG-QLFBSQMISA-N

>  <PUBCHEM_XLOGP3_AA>
5.4

>  <PUBCHEM_EXACT_MASS>
204.187801

>  <PUBCHEM_MOLECULAR_FORMULA>
C15H24

>  <PUBCHEM_MOLECULAR_WEIGHT>
204.35

>  <PUBCHEM_OPENEYE_CAN_SMILES>
CC(=C)C1CCC2(CCCC(=C)C2C1)C

>  <PUBCHEM_OPENEYE_ISO_SMILES>
CC(=C)[C@@H]1CC[C@]2(CCCC(=C)[C@@H]2C1)C

>  <PUBCHEM_CACTVS_TPSA>
0

>  <PUBCHEM_MONOISOTOPIC_WEIGHT>
204.187801

>  <PUBCHEM_TOTAL_CHARGE>
0

>  <PUBCHEM_HEAVY_ATOM_COUNT>
15

>  <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  10  5
2  16  6
6  12  5

$$$$
