15560253
  DSViewer          3D                             0

 39 40  0  0  0  0  0  0  0  0999 V2000
    5.8516   -1.0574   -0.1077 C   0  0  0  0  0  0  0  0  0  1
    7.1198    0.8652   -0.0282 C   0  0  1  0  0  0  0  0  0  2
    5.7750    0.2564    0.1463 C   0  0  0  0  0  0  0  0  0  3
    4.7779   -2.1017   -0.0729 C   0  0  1  0  0  0  0  0  0  4
    7.2800   -1.4604   -0.4265 C   0  0  0  0  0  0  0  0  0  5
    8.0187   -0.3200    0.3081 C   0  0  0  0  0  0  0  0  0  6
    4.5949    1.1335    0.5192 C   0  0  0  0  0  0  0  0  0  7
    3.4596   -1.7153    0.5895 C   0  0  0  0  0  0  0  0  0  8
    2.6897   -0.6210   -0.1428 C   0  0  0  0  0  0  0  0  0  9
    3.2009    0.7754    0.0506 C   0  0  0  0  0  0  0  0  0 10
    7.2753    1.1978   -1.5283 C   0  0  0  0  0  0  0  0  0 11
    4.5184   -2.5834   -1.5150 C   0  0  0  0  0  0  0  0  0 12
    2.3524    1.7827   -0.1833 C   0  0  0  0  0  0  0  0  0 13
    0.9432    1.5041   -0.6377 C   0  0  0  0  0  0  0  0  0 14
    2.7940    3.2099    0.0098 C   0  0  0  0  0  0  0  0  0 15
    7.2968    1.7723    0.5663 H   0  0  0  0  0  0  0  0  0 16
    5.2063   -2.9655    0.4544 H   0  0  0  0  0  0  0  0  0 17
    7.5298   -2.4395   -0.0178 H   0  0  0  0  0  0  0  0  0 18
    7.4779   -1.4523   -1.4983 H   0  0  0  0  0  0  0  0  0 19
    9.0278   -0.1807   -0.0795 H   0  0  0  0  0  0  0  0  0 20
    8.0629   -0.4976    1.3826 H   0  0  0  0  0  0  0  0  0 21
    4.5606    1.1664    1.6082 H   0  0  0  0  0  0  0  0  0 22
    4.8097    2.1293    0.1316 H   0  0  0  0  0  0  0  0  0 23
    2.8287   -2.6027    0.6385 H   0  0  0  0  0  0  0  0  0 24
    3.6742   -1.3651    1.5991 H   0  0  0  0  0  0  0  0  0 25
    2.7227   -0.8448   -1.2091 H   0  0  0  0  0  0  0  0  0 26
    1.6564   -0.6500    0.2032 H   0  0  0  0  0  0  0  0  0 27
    8.2524    1.6485   -1.7017 H   0  0  0  0  0  0  0  0  0 28
    6.4948    1.8970   -1.8286 H   0  0  0  0  0  0  0  0  0 29
    7.1884    0.2831   -2.1147 H   0  0  0  0  0  0  0  0  0 30
    3.7386   -3.3449   -1.5095 H   0  0  0  0  0  0  0  0  0 31
    5.4347   -3.0054   -1.9281 H   0  0  0  0  0  0  0  0  0 32
    4.1984   -1.7408   -2.1281 H   0  0  0  0  0  0  0  0  0 33
    0.4119    2.4460   -0.7736 H   0  0  0  0  0  0  0  0  0 34
    0.4306    0.9035    0.1138 H   0  0  0  0  0  0  0  0  0 35
    0.9663    0.9609   -1.5825 H   0  0  0  0  0  0  0  0  0 36
    1.9693    3.8814   -0.2288 H   0  0  0  0  0  0  0  0  0 37
    3.6367    3.4221   -0.6483 H   0  0  0  0  0  0  0  0  0 38
    3.0962    3.3602    1.0462 H   0  0  0  0  0  0  0  0  0 39
  1  3  2  0  0  0
  1  4  1  0  0  0
  1  5  1  0  0  0
  2  3  1  0  0  0
  2  6  1  0  0  0
  2 11  1  0  0  0
  2 16  1  0  0  0
  3  7  1  0  0  0
  4  8  1  0  0  0
  4 12  1  0  0  0
  4 17  1  0  0  0
  5  6  1  0  0  0
  5 18  1  0  0  0
  5 19  1  0  0  0
  6 20  1  0  0  0
  6 21  1  0  0  0
  7 10  1  0  0  0
  7 22  1  0  0  0
  7 23  1  0  0  0
  8  9  1  0  0  0
  8 24  1  0  0  0
  8 25  1  0  0  0
  9 10  1  0  0  0
  9 26  1  0  0  0
  9 27  1  0  0  0
 10 13  2  0  0  0
 11 28  1  0  0  0
 11 29  1  0  0  0
 11 30  1  0  0  0
 12 31  1  0  0  0
 12 32  1  0  0  0
 12 33  1  0  0  0
 13 14  1  0  0  0
 13 15  1  0  0  0
 14 34  1  0  0  0
 14 35  1  0  0  0
 14 36  1  0  0  0
 15 37  1  0  0  0
 15 38  1  0  0  0
 15 39  1  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
15560253

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
313

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
0

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceBwAAAAAAAAAAAAAAAAAAAAAQAAAAAAAAAABAAAAADAAAAAGAAAAAAADQCAAAACAAAAAACAAgBAAAAAAAAgAAAACAAAAAgAAAIAAAAAAAAAgAAIAAMAgMAOAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
(1R,4R)-7-isopropylidene-1,4-dimethyl-2,3,4,5,6,8-hexahydro-1H-azulene

> <PUBCHEM_IUPAC_CAS_NAME>
(1R,4R)-1,4-dimethyl-7-propan-2-ylidene-2,3,4,5,6,8-hexahydro-1H-azulene

> <PUBCHEM_IUPAC_NAME>
(1R,4R)-1,4-dimethyl-7-propan-2-ylidene-2,3,4,5,6,8-hexahydro-1H-azulene

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
(1R,4R)-1,4-dimethyl-7-propan-2-ylidene-2,3,4,5,6,8-hexahydro-1H-azulene

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(1R,4R)-7-isopropylidene-1,4-dimethyl-2,3,4,5,6,8-hexahydro-1H-azulene

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C15H24/c1-10(2)13-7-5-11(3)14-8-6-12(4)15(14)9-13/h11-12H,5-9H2,1-4H3/t11-,12-/m1/s1

> <PUBCHEM_IUPAC_INCHIKEY>
GIBQERSGRNPMEH-VXGBXAGGSA-N

> <PUBCHEM_XLOGP3_AA>
4.1

> <PUBCHEM_EXACT_MASS>
204.188

> <PUBCHEM_MOLECULAR_FORMULA>
C15H24

> <PUBCHEM_MOLECULAR_WEIGHT>
204.351

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

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

> <PUBCHEM_CACTVS_TPSA>
0

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
204.188

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
15

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
2

> <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>
2  11  6
4  12  6

$$$$
