92812
  DSViewer          3D                             0

 42 44  0  0  0  0  0  0  0  0999 V2000
    3.3930    3.0506   -0.4161 O   0  0  0  0  0  0  0  0  0  1
    4.6835   -1.2797   -0.6109 C   0  0  2  0  0  0  0  0  0  2
    5.8294   -2.1600   -0.0527 C   0  0  0  0  0  0  0  0  0  3
    6.0657   -0.7289   -0.6879 C   0  0  2  0  0  0  0  0  0  4
    3.5746   -0.6712    0.4084 C   0  0  1  0  0  0  0  0  0  5
    3.0339    0.6926   -0.0096 C   0  0  1  0  0  0  0  0  0  6
    6.2306    0.5460    0.1067 C   0  0  0  0  0  0  0  0  0  7
    2.2304   -1.3969    0.2840 C   0  0  1  0  0  0  0  0  0  8
    4.0482    1.8932    0.1012 C   0  0  1  0  0  0  0  0  0  9
    2.4576    0.3784   -1.4093 C   0  0  0  0  0  0  0  0  0 10
    5.4242    1.7024   -0.6041 C   0  0  0  0  0  0  0  0  0 11
    6.1113   -2.2135    1.4659 C   0  0  0  0  0  0  0  0  0 12
    6.3019   -3.3170   -0.9485 C   0  0  0  0  0  0  0  0  0 13
    1.8293   -1.0675   -1.1917 C   0  0  0  0  0  0  0  0  0 14
    2.2263   -2.9036    0.6043 C   0  0  0  0  0  0  0  0  0 15
    4.3712    2.1388    1.5935 C   0  0  0  0  0  0  0  0  0 16
    4.3796   -1.4707   -1.6458 H   0  0  0  0  0  0  0  0  0 17
    6.4370   -0.7198   -1.7215 H   0  0  0  0  0  0  0  0  0 18
    3.9497   -0.6495    1.4327 H   0  0  0  0  0  0  0  0  0 19
    2.1903    0.9407    0.6486 H   0  0  0  0  0  0  0  0  0 20
    5.8464    0.3997    1.1162 H   0  0  0  0  0  0  0  0  0 21
    7.2864    0.8128    0.1544 H   0  0  0  0  0  0  0  0  0 22
    1.5443   -0.8763    0.9658 H   0  0  0  0  0  0  0  0  0 23
    1.6947    1.1026   -1.6950 H   0  0  0  0  0  0  0  0  0 24
    3.2424    0.3593   -2.1654 H   0  0  0  0  0  0  0  0  0 25
    5.9933    2.6301   -0.5449 H   0  0  0  0  0  0  0  0  0 26
    5.2620    1.4410   -1.6498 H   0  0  0  0  0  0  0  0  0 27
    7.1055   -3.8586   -0.4497 H   0  0  0  0  0  0  0  0  0 28
    6.6662   -2.9186   -1.8955 H   0  0  0  0  0  0  0  0  0 29
    5.4694   -3.9951   -1.1364 H   0  0  0  0  0  0  0  0  0 30
    6.9497   -2.8832    1.6570 H   0  0  0  0  0  0  0  0  0 31
    5.2273   -2.5808    1.9874 H   0  0  0  0  0  0  0  0  0 32
    6.3559   -1.2142    1.8260 H   0  0  0  0  0  0  0  0  0 33
    2.2571   -1.7906   -1.8861 H   0  0  0  0  0  0  0  0  0 34
    0.7458   -1.0472   -1.3094 H   0  0  0  0  0  0  0  0  0 35
    1.2184   -3.2994    0.4794 H   0  0  0  0  0  0  0  0  0 36
    2.5517   -3.0578    1.6331 H   0  0  0  0  0  0  0  0  0 37
    2.9058   -3.4213   -0.0728 H   0  0  0  0  0  0  0  0  0 38
    4.8729    1.2635    2.0060 H   0  0  0  0  0  0  0  0  0 39
    3.4461    2.3184    2.1412 H   0  0  0  0  0  0  0  0  0 40
    5.0227    3.0078    1.6866 H   0  0  0  0  0  0  0  0  0 41
    3.9844    3.8361   -0.3135 H   0  0  0  0  0  0  0  0  0 42
  9  1  1  0  0  0
  1 42  1  0  0  0
  2  3  1  0  0  0
  2  4  1  0  0  0
  2  5  1  0  0  0
  2 17  1  0  0  0
  3  4  1  0  0  0
  3 12  1  0  0  0
  3 13  1  0  0  0
  4  7  1  0  0  0
  4 18  1  0  0  0
  5  6  1  0  0  0
  5  8  1  0  0  0
  5 19  1  0  0  0
  6  9  1  0  0  0
  6 10  1  0  0  0
  6 20  1  0  0  0
  7 11  1  0  0  0
  7 21  1  0  0  0
  7 22  1  0  0  0
  8 14  1  0  0  0
  8 15  1  0  0  0
  8 23  1  0  0  0
  9 11  1  0  0  0
  9 16  1  0  0  0
 10 14  1  0  0  0
 10 24  1  0  0  0
 10 25  1  0  0  0
 11 26  1  0  0  0
 11 27  1  0  0  0
 12 31  1  0  0  0
 12 32  1  0  0  0
 12 33  1  0  0  0
 13 28  1  0  0  0
 13 29  1  0  0  0
 13 30  1  0  0  0
 14 34  1  0  0  0
 14 35  1  0  0  0
 15 36  1  0  0  0
 15 37  1  0  0  0
 15 38  1  0  0  0
 16 39  1  0  0  0
 16 40  1  0  0  0
 16 41  1  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
92812

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
309

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
1

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceBwIAAAAAAAAAAAAAAAGAAAAYAAAAAAAAAABgAYAADAAAAAGgAACAAAD0SAgAACAAAAAgAAAAAAAAAAAAAAAAAAAAAAAAAAAAIAAAAAQAAEAAAAAAGAwPAPgAAAAAAAAAAAAAAAAAAAAQAACAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
(1aR,4R,4aS,7R,7aS,7bS)-1,1,4,7-tetramethyl-2,3,4a,5,6,7,7a,7b-octahydro-1aH-cyclopropa[e]azulen-4-ol

> <PUBCHEM_IUPAC_CAS_NAME>
(1aR,4R,4aS,7R,7aS,7bS)-1,1,4,7-tetramethyl-2,3,4a,5,6,7,7a,7b-octahydro-1aH-cyclopropa[e]azulen-4-ol

> <PUBCHEM_IUPAC_NAME>
(1aR,4R,4aS,7R,7aS,7bS)-1,1,4,7-tetramethyl-2,3,4a,5,6,7,7a,7b-octahydro-1aH-cyclopropa[e]azulen-4-ol

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
(1aR,4R,4aS,7R,7aS,7bS)-1,1,4,7-tetramethyl-2,3,4a,5,6,7,7a,7b-octahydro-1aH-cyclopropa[e]azulen-4-ol

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(1aR,4R,4aS,7R,7aS,7bS)-1,1,4,7-tetramethyl-2,3,4a,5,6,7,7a,7b-octahydro-1aH-cycloprop[e]azulen-4-ol

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C15H26O/c1-9-5-6-10-12(9)13-11(14(13,2)3)7-8-15(10,4)16/h9-13,16H,5-8H2,1-4H3/t9-,10+,11-,12-,13-,15-/m1/s1

> <PUBCHEM_IUPAC_INCHIKEY>
AYXPYQRXGNDJFU-AOWZIMASSA-N

> <PUBCHEM_XLOGP3_AA>
3.7

> <PUBCHEM_EXACT_MASS>
222.198

> <PUBCHEM_MOLECULAR_FORMULA>
C15H26O

> <PUBCHEM_MOLECULAR_WEIGHT>
222.366

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

> <PUBCHEM_OPENEYE_ISO_SMILES>
C[C@@H]1CC[C@H]2[C@@H]1[C@H]3[C@H](C3(C)C)CC[C@@]2(C)O

> <PUBCHEM_CACTVS_TPSA>
20.2

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
222.198

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
16

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
6

> <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>
9  1  6
2  17  6
4  18  6
5  19  5
6  20  5
8  15  6

$$$$
