94275
  DSViewer          3D                             0

 39 40  0  0  0  0  0  0  0  0999 V2000
    5.7120    0.5550   -0.3798 C   0  0  1  0  0  0  0  0  0  1
    7.1297    0.8988    0.0935 C   0  0  2  0  0  0  0  0  0  2
    5.6961   -0.9043    0.0460 C   0  0  0  0  0  0  0  0  0  3
    4.6456    1.4369    0.2437 C   0  0  0  0  0  0  0  0  0  4
    7.9105   -0.2508   -0.5454 C   0  0  0  0  0  0  0  0  0  5
    7.1051   -1.4763    0.0217 C   0  0  0  0  0  0  0  0  0  6
    3.2712    1.2228   -0.3862 C   0  0  1  0  0  0  0  0  0  7
    4.6435   -1.6451    0.4786 C   0  0  0  0  0  0  0  0  0  8
    2.9439   -0.2475   -0.6524 C   0  0  0  0  0  0  0  0  0  9
    3.1985   -1.1638    0.5278 C   0  0  0  0  0  0  0  0  0 10
    7.2286    0.7959    1.6396 C   0  0  0  0  0  0  0  0  0 11
    2.2256    1.9209    0.4663 C   0  0  0  0  0  0  0  0  0 12
    4.9149   -3.0532    0.9267 C   0  0  0  0  0  0  0  0  0 13
    0.7738    1.5211    0.3849 C   0  0  0  0  0  0  0  0  0 14
    2.5726    2.9640    1.2189 C   0  0  0  0  0  0  0  0  0 15
    5.7055    0.6349   -1.4769 H   0  0  0  0  0  0  0  0  0 16
    7.4502    1.8995   -0.2273 H   0  0  0  0  0  0  0  0  0 17
    4.5819    1.2097    1.3079 H   0  0  0  0  0  0  0  0  0 18
    4.9327    2.4800    0.1110 H   0  0  0  0  0  0  0  0  0 19
    7.8717   -0.2103   -1.6340 H   0  0  0  0  0  0  0  0  0 20
    8.9503   -0.2642   -0.2187 H   0  0  0  0  0  0  0  0  0 21
    7.4437   -1.7510    1.0207 H   0  0  0  0  0  0  0  0  0 22
    7.1753   -2.3418   -0.6371 H   0  0  0  0  0  0  0  0  0 23
    3.2564    1.6967   -1.3771 H   0  0  0  0  0  0  0  0  0 24
    1.8897   -0.3199   -0.9201 H   0  0  0  0  0  0  0  0  0 25
    3.5556   -0.5880   -1.4878 H   0  0  0  0  0  0  0  0  0 26
    2.5262   -2.0202    0.4772 H   0  0  0  0  0  0  0  0  0 27
    3.0259   -0.6200    1.4565 H   0  0  0  0  0  0  0  0  0 28
    8.2417    1.0434    1.9566 H   0  0  0  0  0  0  0  0  0 29
    6.9886   -0.2203    1.9527 H   0  0  0  0  0  0  0  0  0 30
    6.5252    1.4921    2.0964 H   0  0  0  0  0  0  0  0  0 31
    3.9826   -3.5202    1.2437 H   0  0  0  0  0  0  0  0  0 32
    5.6164   -3.0407    1.7609 H   0  0  0  0  0  0  0  0  0 33
    5.3431   -3.6216    0.1010 H   0  0  0  0  0  0  0  0  0 34
    0.1883    2.1354    1.0688 H   0  0  0  0  0  0  0  0  0 35
    0.6694    0.4715    0.6601 H   0  0  0  0  0  0  0  0  0 36
    0.4128    1.6669   -0.6333 H   0  0  0  0  0  0  0  0  0 37
    3.6047    3.3146    1.2218 H   0  0  0  0  0  0  0  0  0 38
    1.8245    3.4668    1.8317 H   0  0  0  0  0  0  0  0  0 39
  1  2  1  0  0  0
  1  3  1  0  0  0
  1  4  1  0  0  0
  1 16  1  0  0  0
  2  5  1  0  0  0
  2 11  1  0  0  0
  2 17  1  0  0  0
  3  6  1  0  0  0
  3  8  2  0  0  0
  4  7  1  0  0  0
  4 18  1  0  0  0
  4 19  1  0  0  0
  5  6  1  0  0  0
  5 20  1  0  0  0
  5 21  1  0  0  0
  6 22  1  0  0  0
  6 23  1  0  0  0
  7  9  1  0  0  0
  7 12  1  0  0  0
  7 24  1  0  0  0
  8 10  1  0  0  0
  8 13  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 14  1  0  0  0
 12 15  2  0  0  0
 13 32  1  0  0  0
 13 33  1  0  0  0
 13 34  1  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>
94275

> <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>
AAADceBwAAAAAAAAAAAAAAAAAAAAAYAAAAAAAAAABAAAAACAAAAAGAAAAAAADQCAAAACAAAAAACAAgBCAAAAAAAgAAAACAAAAAgAAAIAAQAAAAAAgAAIAAMAgMAOgAAAAAAAAAAAAAAAAAAAAAAACAAAAA==

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

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

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

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

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

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C15H24/c1-10(2)13-7-5-11(3)14-8-6-12(4)15(14)9-13/h12-13,15H,1,5-9H2,2-4H3/t12-,13+,15-/m0/s1

> <PUBCHEM_IUPAC_INCHIKEY>
YHAJBLWYOIUHHM-GUTXKFCHSA-N

> <PUBCHEM_XLOGP3_AA>
4.6

> <PUBCHEM_EXACT_MASS>
204.188

> <PUBCHEM_MOLECULAR_FORMULA>
C15H24

> <PUBCHEM_MOLECULAR_WEIGHT>
204.351

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1CCC2=C(CCC(CC12)C(=C)C)C

> <PUBCHEM_OPENEYE_ISO_SMILES>
C[C@H]1CCC2=C(CC[C@H](C[C@@H]12)C(=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>
1  16  6
2  11  5
7  12  5

$$$$
