91747180
  DSViewer          3D                             0

 40 42  0  0  0  0  0  0  0  0999 V2000
    5.3751    3.6170    0.0245 O   0  0  0  0  0  0  0  0  0  1
    4.5662   -1.2531    0.0826 C   0  0  3  0  0  0  0  0  0  2
    3.5963   -0.5172   -0.9500 C   0  0  3  0  0  0  0  0  0  3
    3.0848   -1.1640    0.4120 C   0  0  1  0  0  0  0  0  0  4
    5.6907   -0.1755    0.4496 C   0  0  2  0  0  0  0  0  0  5
    5.0316    1.2402    0.2827 C   0  0  2  0  0  0  0  0  0  6
    4.2497    0.9863   -1.0767 C   0  0  0  0  0  0  0  0  0  7
    2.1711   -2.4338    0.3957 C   0  0  0  0  0  0  0  0  0  8
    6.0563    2.3816    0.2409 C   0  0  1  0  0  0  0  0  0  9
    6.8168   -0.3325   -0.5863 C   0  0  0  0  0  0  0  0  0 10
    4.0769    1.6666    1.4485 C   0  0  0  0  0  0  0  0  0 11
    7.0318    2.1472   -0.9272 C   0  0  0  0  0  0  0  0  0 12
    7.7894    0.8119   -0.8003 C   0  0  0  0  0  0  0  0  0 13
    0.7121   -1.9809    0.2166 C   0  0  0  0  0  0  0  0  0 14
    2.5227   -3.4229   -0.7424 C   0  0  0  0  0  0  0  0  0 15
    7.1894   -1.5502   -0.9844 C   0  0  0  0  0  0  0  0  0 16
    4.8719   -2.2943   -0.0636 H   0  0  0  0  0  0  0  0  0 17
    3.3455   -1.0621   -1.8678 H   0  0  0  0  0  0  0  0  0 18
    2.8378   -0.4761    1.1888 H   0  0  0  0  0  0  0  0  0 19
    6.1601   -0.2981    1.4346 H   0  0  0  0  0  0  0  0  0 20
    4.9362    1.0307   -1.9222 H   0  0  0  0  0  0  0  0  0 21
    3.4642    1.7308   -1.2063 H   0  0  0  0  0  0  0  0  0 22
    2.2701   -2.9531    1.3595 H   0  0  0  0  0  0  0  0  0 23
    6.6006    2.4234    1.1943 H   0  0  0  0  0  0  0  0  0 24
    3.6712    2.6571    1.2428 H   0  0  0  0  0  0  0  0  0 25
    4.6342    1.6902    2.3850 H   0  0  0  0  0  0  0  0  0 26
    3.2599    0.9497    1.5304 H   0  0  0  0  0  0  0  0  0 27
    6.4668    2.1418   -1.8593 H   0  0  0  0  0  0  0  0  0 28
    7.7571    2.9606   -0.9461 H   0  0  0  0  0  0  0  0  0 29
    8.4717    0.8659    0.0480 H   0  0  0  0  0  0  0  0  0 30
    8.3574    0.6338   -1.7134 H   0  0  0  0  0  0  0  0  0 31
    1.8527   -4.2815   -0.6982 H   0  0  0  0  0  0  0  0  0 32
    0.0593   -2.8536    0.2028 H   0  0  0  0  0  0  0  0  0 33
    0.6124   -1.4383   -0.7236 H   0  0  0  0  0  0  0  0  0 34
    3.5527   -3.7601   -0.6260 H   0  0  0  0  0  0  0  0  0 35
    0.4293   -1.3293    1.0434 H   0  0  0  0  0  0  0  0  0 36
    2.4106   -2.9244   -1.7053 H   0  0  0  0  0  0  0  0  0 37
    6.6960   -2.4320   -0.5756 H   0  0  0  0  0  0  0  0  0 38
    7.9872   -1.6633   -1.7184 H   0  0  0  0  0  0  0  0  0 39
    6.0330    4.3534   -0.0081 H   0  0  0  0  0  0  0  0  0 40
  9  1  1  0  0  0
  1 40  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  7  1  0  0  0
  3 18  1  0  0  0
  4  8  1  0  0  0
  4 19  1  0  0  0
  5  6  1  0  0  0
  5 10  1  0  0  0
  5 20  1  0  0  0
  6  7  1  0  0  0
  6  9  1  0  0  0
  6 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 12  1  0  0  0
  9 24  1  0  0  0
 10 13  1  0  0  0
 10 16  2  0  0  0
 11 25  1  0  0  0
 11 26  1  0  0  0
 11 27  1  0  0  0
 12 13  1  0  0  0
 12 28  1  0  0  0
 12 29  1  0  0  0
 13 30  1  0  0  0
 13 31  1  0  0  0
 14 33  1  0  0  0
 14 34  1  0  0  0
 14 36  1  0  0  0
 15 32  1  0  0  0
 15 35  1  0  0  0
 15 37  1  0  0  0
 16 38  1  0  0  0
 16 39  1  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
91747180

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
332

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
1

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
1

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceBwIAAAAAAAAAAAAAAAGAAAAYAAAAAwYAAAAAAAAGAAAAAAGgAACAAADxSggAICAAAAAgCAAgBCAAAAAAAgAAAAAAAAAAgAEAIAAQAAQAAEgAAAAAGAwPAPgAAAAAAAAACAAAYAADAAAQAACAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
(1R,1bS,5R,5aS)-1-isopropyl-5a-methyl-2-methylene-1,1a,1b,3,4,5,6,6a-octahydrocyclopropa[a]inden-5-ol

> <PUBCHEM_IUPAC_CAS_NAME>
(1R,1bS,5R,5aS)-5a-methyl-2-methylene-1-propan-2-yl-1,1a,1b,3,4,5,6,6a-octahydrocyclopropa[a]inden-5-ol

> <PUBCHEM_IUPAC_NAME>
(1R,1bS,5R,5aS)-5a-methyl-2-methylidene-1-propan-2-yl-1,1a,1b,3,4,5,6,6a-octahydrocyclopropa[a]inden-5-ol

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
(1R,1bS,5R,5aS)-5a-methyl-2-methylidene-1-propan-2-yl-1,1a,1b,3,4,5,6,6a-octahydrocyclopropa[a]inden-5-ol

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(1R,1bS,5R,5aS)-1-isopropyl-5a-methyl-2-methylene-1,1a,1b,3,4,5,6,6a-octahydrocycloprop[a]inden-5-ol

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C15H24O/c1-8(2)12-10-7-15(4)11(16)6-5-9(3)14(15)13(10)12/h8,10-14,16H,3,5-7H2,1-2,4H3/t10?,11-,12-,13?,14-,15-/m1/s1

> <PUBCHEM_IUPAC_INCHIKEY>
WVVFQZGQVPKOMT-NUIWIDGZSA-N

> <PUBCHEM_XLOGP3_AA>
3.2

> <PUBCHEM_EXACT_MASS>
220.183

> <PUBCHEM_MOLECULAR_FORMULA>
C15H24O

> <PUBCHEM_MOLECULAR_WEIGHT>
220.35

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC(C)C1C2C1C3C(=C)CCC(C3(C2)C)O

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC(C)[C@@H]1C2C1[C@H]3C(=C)CC[C@H]([C@]3(C2)C)O

> <PUBCHEM_CACTVS_TPSA>
20.2

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
220.183

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
16

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
4

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
2

> <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  4  3
3  7  3
5  20  5
6  11  5

$$$$
