5317844
  DSViewer          3D                             0

 39 40  0  0  0  0  0  0  0  0999 V2000
    5.7601    0.3161    0.3233 C   0  0  0  0  0  0  0  0  0  1
    5.8132   -0.9874    0.0342 C   0  0  0  0  0  0  0  0  0  2
    7.1099    0.9132    0.1566 C   0  0  2  0  0  0  0  0  0  3
    4.7107   -2.0184    0.0571 C   0  0  2  0  0  0  0  0  0  4
    4.5881    1.1547    0.7479 C   0  0  0  0  0  0  0  0  0  5
    7.2312   -1.3984   -0.3112 C   0  0  0  0  0  0  0  0  0  6
    3.2676    0.9553   -0.0224 C   0  0  1  0  0  0  0  0  0  7
    7.9929   -0.2920    0.4543 C   0  0  0  0  0  0  0  0  0  8
    3.3941   -1.5899   -0.6120 C   0  0  0  0  0  0  0  0  0  9
    2.6170   -0.4375    0.0556 C   0  0  0  0  0  0  0  0  0 10
    7.3884    2.1627    1.0129 C   0  0  0  0  0  0  0  0  0 11
    4.4000   -2.4111    1.5221 C   0  0  0  0  0  0  0  0  0 12
    2.2890    1.9748    0.5208 C   0  0  0  0  0  0  0  0  0 13
    0.8245    1.6449    0.6341 C   0  0  0  0  0  0  0  0  0 14
    2.7165    3.1873    0.8689 C   0  0  0  0  0  0  0  0  0 15
    7.2194    1.1608   -0.9083 H   0  0  0  0  0  0  0  0  0 16
    5.0959   -2.9113   -0.4546 H   0  0  0  0  0  0  0  0  0 17
    4.3919    0.9373    1.7979 H   0  0  0  0  0  0  0  0  0 18
    4.8763    2.2004    0.6406 H   0  0  0  0  0  0  0  0  0 19
    7.4712   -2.3938    0.0625 H   0  0  0  0  0  0  0  0  0 20
    7.4193   -1.3573   -1.3840 H   0  0  0  0  0  0  0  0  0 21
    3.4556    1.2001   -1.0767 H   0  0  0  0  0  0  0  0  0 22
    9.0023   -0.1564    0.0657 H   0  0  0  0  0  0  0  0  0 23
    8.0396   -0.5018    1.5229 H   0  0  0  0  0  0  0  0  0 24
    3.6273   -1.2828   -1.6316 H   0  0  0  0  0  0  0  0  0 25
    2.7378   -2.4599   -0.6352 H   0  0  0  0  0  0  0  0  0 26
    2.4916   -0.6874    1.1091 H   0  0  0  0  0  0  0  0  0 27
    1.6393   -0.3750   -0.4223 H   0  0  0  0  0  0  0  0  0 28
    8.3993    2.5200    0.8170 H   0  0  0  0  0  0  0  0  0 29
    7.2913    1.9094    2.0686 H   0  0  0  0  0  0  0  0  0 30
    6.6720    2.9443    0.7598 H   0  0  0  0  0  0  0  0  0 31
    3.6040   -3.1554    1.5383 H   0  0  0  0  0  0  0  0  0 32
    4.0820   -1.5277    2.0760 H   0  0  0  0  0  0  0  0  0 33
    5.2950   -2.8269    1.9850 H   0  0  0  0  0  0  0  0  0 34
    0.2893    2.5015    1.0439 H   0  0  0  0  0  0  0  0  0 35
    0.6948    0.7868    1.2936 H   0  0  0  0  0  0  0  0  0 36
    0.4276    1.4074   -0.3529 H   0  0  0  0  0  0  0  0  0 37
    3.7703    3.4450    0.7626 H   0  0  0  0  0  0  0  0  0 38
    2.0127    3.9220    1.2600 H   0  0  0  0  0  0  0  0  0 39
  1  2  2  0  0  0
  1  3  1  0  0  0
  1  5  1  0  0  0
  2  4  1  0  0  0
  2  6  1  0  0  0
  3  8  1  0  0  0
  3 11  1  0  0  0
  3 16  1  0  0  0
  4  9  1  0  0  0
  4 12  1  0  0  0
  4 17  1  0  0  0
  5  7  1  0  0  0
  5 18  1  0  0  0
  5 19  1  0  0  0
  6  8  1  0  0  0
  6 20  1  0  0  0
  6 21  1  0  0  0
  7 10  1  0  0  0
  7 13  1  0  0  0
  7 22  1  0  0  0
  8 23  1  0  0  0
  8 24  1  0  0  0
  9 10  1  0  0  0
  9 25  1  0  0  0
  9 26  1  0  0  0
 10 27  1  0  0  0
 10 28  1  0  0  0
 11 29  1  0  0  0
 11 30  1  0  0  0
 11 31  1  0  0  0
 12 32  1  0  0  0
 12 33  1  0  0  0
 12 34  1  0  0  0
 13 14  1  0  0  0
 13 15  2  0  0  0
 14 35  1  0  0  0
 14 36  1  0  0  0
 14 37  1  0  0  0
 15 38  1  0  0  0
 15 39  1  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
5317844

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
295

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
0

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
1

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceBwAAAAAAAAAAAAAAAAAAAAAQAAAAAAAAAABAAAAADAAAAAGAAAAAAADQCAAAACAAAAAACAAgBCAAAAAAAgAAAACAAAAAgAAAIAAQAAAAAAgAAIAAMAgMAOAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
(1S,4S,7R)-7-isopropenyl-1,4-dimethyl-1,2,3,4,5,6,7,8-octahydroazulene

> <PUBCHEM_IUPAC_CAS_NAME>
(1S,4S,7R)-1,4-dimethyl-7-(1-methylethenyl)-1,2,3,4,5,6,7,8-octahydroazulene

> <PUBCHEM_IUPAC_NAME>
(1S,4S,7R)-1,4-dimethyl-7-prop-1-en-2-yl-1,2,3,4,5,6,7,8-octahydroazulene

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
(1S,4S,7R)-1,4-dimethyl-7-prop-1-en-2-yl-1,2,3,4,5,6,7,8-octahydroazulene

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(1S,4S,7R)-7-isopropenyl-1,4-dimethyl-1,2,3,4,5,6,7,8-octahydroazulene

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C15H24/c1-10(2)13-7-5-11(3)14-8-6-12(4)15(14)9-13/h11-13H,1,5-9H2,2-4H3/t11-,12-,13+/m0/s1

> <PUBCHEM_IUPAC_INCHIKEY>
ADIDQIZBYUABQK-RWMBFGLXSA-N

> <PUBCHEM_XLOGP3_AA>
4.6

> <PUBCHEM_EXACT_MASS>
204.188

> <PUBCHEM_MOLECULAR_FORMULA>
C15H24

> <PUBCHEM_MOLECULAR_WEIGHT>
204.351

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1CCC(CC2=C1CCC2C)C(=C)C

> <PUBCHEM_OPENEYE_ISO_SMILES>
C[C@H]1CC[C@H](CC2=C1CC[C@@H]2C)C(=C)C

> <PUBCHEM_CACTVS_TPSA>
0

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
204.188

> <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>
3  11  5
4  12  5
7  13  5

$$$$
