91746537
  DSViewer          3D                             0

 39 41  0  0  0  0  0  0  0  0999 V2000
    4.5981   -1.0585    0.4764 C   0  0  1  0  0  0  0  0  0  1
    5.6944   -2.0267   -0.0313 C   0  0  0  0  0  0  0  0  0  2
    5.9809   -0.5193    0.3851 C   0  0  1  0  0  0  0  0  0  3
    3.5437   -0.4614   -0.4818 C   0  0  2  0  0  0  0  0  0  4
    3.0505    0.9308   -0.1528 C   0  0  1  0  0  0  0  0  0  5
    6.1560    0.5718   -0.6864 C   0  0  0  0  0  0  0  0  0  6
    2.2434   -1.2695   -0.2210 C   0  0  3  0  0  0  0  0  0  7
    5.8681   -2.2829   -1.5469 C   0  0  0  0  0  0  0  0  0  8
    6.2365   -3.0527    0.9773 C   0  0  0  0  0  0  0  0  0  9
    1.8241    0.7740    0.6796 C   0  0  0  0  0  0  0  0  0 10
    1.1389   -0.2881   -0.3699 C   0  0  0  0  0  0  0  0  0 11
    5.6094    1.9334   -0.1548 C   0  0  0  0  0  0  0  0  0 12
    4.0839    2.0289    0.1503 C   0  0  0  0  0  0  0  0  0 13
    2.1518   -2.6570   -0.8861 C   0  0  0  0  0  0  0  0  0 14
    3.6338    3.1675    0.6715 C   0  0  0  0  0  0  0  0  0 15
    4.2972   -1.1663    1.5270 H   0  0  0  0  0  0  0  0  0 16
    6.4640   -0.3755    1.3610 H   0  0  0  0  0  0  0  0  0 17
    3.8906   -0.3615   -1.5164 H   0  0  0  0  0  0  0  0  0 18
    2.5089    1.2619   -1.0504 H   0  0  0  0  0  0  0  0  0 19
    7.2143    0.6763   -0.9255 H   0  0  0  0  0  0  0  0  0 20
    5.6065    0.2879   -1.5839 H   0  0  0  0  0  0  0  0  0 21
    2.1858   -1.4046    0.8695 H   0  0  0  0  0  0  0  0  0 22
    6.6842   -2.9879   -1.7055 H   0  0  0  0  0  0  0  0  0 23
    6.0969   -1.3438   -2.0508 H   0  0  0  0  0  0  0  0  0 24
    6.9969   -3.6684    0.4969 H   0  0  0  0  0  0  0  0  0 25
    5.4213   -3.6877    1.3241 H   0  0  0  0  0  0  0  0  0 26
    6.6763   -2.5303    1.8269 H   0  0  0  0  0  0  0  0  0 27
    4.9460   -2.6979   -1.9538 H   0  0  0  0  0  0  0  0  0 28
    2.0203    0.3455    1.6624 H   0  0  0  0  0  0  0  0  0 29
    1.2567    1.6979    0.7922 H   0  0  0  0  0  0  0  0  0 30
    1.0424    0.1046   -1.3821 H   0  0  0  0  0  0  0  0  0 31
    0.1742   -0.6678   -0.0334 H   0  0  0  0  0  0  0  0  0 32
    6.1414    2.1599    0.7692 H   0  0  0  0  0  0  0  0  0 33
    5.8403    2.6918   -0.9029 H   0  0  0  0  0  0  0  0  0 34
    1.1996   -3.1213   -0.6297 H   0  0  0  0  0  0  0  0  0 35
    2.9689   -3.2852   -0.5314 H   0  0  0  0  0  0  0  0  0 36
    2.2220   -2.5470   -1.9683 H   0  0  0  0  0  0  0  0  0 37
    2.5690    3.2939    0.8673 H   0  0  0  0  0  0  0  0  0 38
    4.3298    3.9739    0.9026 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  3  1  0  0  0
  2  8  1  0  0  0
  2  9  1  0  0  0
  3  6  1  0  0  0
  3 17  1  0  0  0
  4  5  1  0  0  0
  4  7  1  0  0  0
  4 18  1  0  0  0
  5 10  1  0  0  0
  5 13  1  0  0  0
  5 19  1  0  0  0
  6 12  1  0  0  0
  6 20  1  0  0  0
  6 21  1  0  0  0
  7 11  1  0  0  0
  7 14  1  0  0  0
  7 22  1  0  0  0
  8 23  1  0  0  0
  8 24  1  0  0  0
  8 28  1  0  0  0
  9 25  1  0  0  0
  9 26  1  0  0  0
  9 27  1  0  0  0
 10 11  1  0  0  0
 10 29  1  0  0  0
 10 30  1  0  0  0
 11 31  1  0  0  0
 11 32  1  0  0  0
 12 13  1  0  0  0
 12 33  1  0  0  0
 12 34  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>
91746537

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
299

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
0

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceBwAAAAAAAAAAAAAAAAGAAAAYAAAAAAAAAABgAYAADAAAAAGAAAAAAADwCAAAACAAAAAACAAgBCAAAAAAAgAAAAAAAAAAgAAAIAAQAAAAAAgAAAAAEAgMAPgAAAAAAAAAAAAAAAAAAAAQAACAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
(1aS,4aR,7aS,7bR)-1,1,7-trimethyl-4-methylene-2,3,4a,5,6,7,7a,7b-octahydro-1aH-cyclopropa[e]azulene

> <PUBCHEM_IUPAC_CAS_NAME>
(1aS,4aR,7aS,7bR)-1,1,7-trimethyl-4-methylene-2,3,4a,5,6,7,7a,7b-octahydro-1aH-cyclopropa[e]azulene

> <PUBCHEM_IUPAC_NAME>
(1aS,4aR,7aS,7bR)-1,1,7-trimethyl-4-methylidene-2,3,4a,5,6,7,7a,7b-octahydro-1aH-cyclopropa[e]azulene

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
(1aS,4aR,7aS,7bR)-1,1,7-trimethyl-4-methylidene-2,3,4a,5,6,7,7a,7b-octahydro-1aH-cyclopropa[e]azulene

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(1aS,4aR,7aS,7bR)-1,1,7-trimethyl-4-methylene-2,3,4a,5,6,7,7a,7b-octahydro-1aH-cycloprop[e]azulene

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C15H24/c1-9-6-8-12-14(15(12,3)4)13-10(2)5-7-11(9)13/h10-14H,1,5-8H2,2-4H3/t10?,11-,12-,13-,14-/m0/s1

> <PUBCHEM_IUPAC_INCHIKEY>
ITYNGVSTWVVPIC-NSIINPIOSA-N

> <PUBCHEM_XLOGP3_AA>
4.7

> <PUBCHEM_EXACT_MASS>
204.188

> <PUBCHEM_MOLECULAR_FORMULA>
C15H24

> <PUBCHEM_MOLECULAR_WEIGHT>
204.351

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1CCC2C1C3C(C3(C)C)CCC2=C

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC1CC[C@@H]2[C@H]1[C@@H]3[C@@H](C3(C)C)CCC2=C

> <PUBCHEM_CACTVS_TPSA>
0

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
204.188

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
15

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
4

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
1

> <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  5
3  17  5
4  18  6
5  19  6
7  14  3

$$$$
