6857559
  DSViewer          3D                             0

 40 42  0  0  0  0  0  0  0  0999 V2000
    4.3871   -4.7005   -0.2122 O   0  0  0  0  0  0  0  0  0  1
    2.0253    3.0156    0.2293 C   0  0  0  0  0  0  0  0  0  2
    1.0464    3.0804   -0.5831 C   0  0  3  0  0  0  0  0  0  3
    1.2782    2.1330    0.7692 C   0  0  3  0  0  0  0  0  0  4
    3.1938    1.9527   -0.7196 C   0  0  1  0  0  0  0  0  0  5
    3.4862    2.8877   -0.1076 C   0  0  0  0  0  0  0  0  0  6
    2.3512    3.9310   -0.9849 C   0  0  0  0  0  0  0  0  0  7
    2.7580    2.2618    1.3852 C   0  0  0  0  0  0  0  0  0  8
    2.2034    4.5247    1.2614 C   0  0  0  0  0  0  0  0  0  9
    4.1919    0.9188   -0.0442 C   0  0  0  0  0  0  0  0  0 10
    3.7641    2.3396   -2.1506 C   0  0  0  0  0  0  0  0  0 11
    4.3116   -0.4011   -0.8433 C   0  0  0  0  0  0  0  0  0 12
    5.4039   -1.2020   -0.1886 C   0  0  0  0  0  0  0  0  0 13
    5.3630   -2.5336   -0.0775 C   0  0  0  0  0  0  0  0  0 14
    4.1909   -3.3264   -0.5766 C   0  0  0  0  0  0  0  0  0 15
    6.5003   -3.2419    0.5949 C   0  0  0  0  0  0  0  0  0 16
    0.5931    2.5031    1.5449 H   0  0  0  0  0  0  0  0  0 17
    0.2692    3.8177   -0.3348 H   0  0  0  0  0  0  0  0  0 18
    4.5583    3.1441   -0.1139 H   0  0  0  0  0  0  0  0  0 19
    2.8142    2.9669    2.2145 H   0  0  0  0  0  0  0  0  0 20
    3.1758    1.3034    1.6935 H   0  0  0  0  0  0  0  0  0 21
    2.5332    3.9491   -2.0594 H   0  0  0  0  0  0  0  0  0 22
    2.3284    4.9514   -0.6025 H   0  0  0  0  0  0  0  0  0 23
    3.0542    4.4082    1.9326 H   0  0  0  0  0  0  0  0  0 24
    1.2966    4.6736    1.8477 H   0  0  0  0  0  0  0  0  0 25
    2.3651    5.3891    0.6173 H   0  0  0  0  0  0  0  0  0 26
    5.1784    1.3778    0.0213 H   0  0  0  0  0  0  0  0  0 27
    3.8305    0.6885    0.9580 H   0  0  0  0  0  0  0  0  0 28
    4.4319    1.5526   -2.5010 H   0  0  0  0  0  0  0  0  0 29
    4.3142    3.2781   -2.0814 H   0  0  0  0  0  0  0  0  0 30
    2.9382    2.4539   -2.8527 H   0  0  0  0  0  0  0  0  0 31
    3.3701   -0.9492   -0.8071 H   0  0  0  0  0  0  0  0  0 32
    4.5702   -0.1903   -1.8810 H   0  0  0  0  0  0  0  0  0 33
    6.2678   -0.6726    0.2134 H   0  0  0  0  0  0  0  0  0 34
    4.1222   -3.2392   -1.6609 H   0  0  0  0  0  0  0  0  0 35
    3.2733   -2.9524   -0.1226 H   0  0  0  0  0  0  0  0  0 36
    6.3084   -4.3148    0.6003 H   0  0  0  0  0  0  0  0  0 37
    6.5956   -2.8852    1.6205 H   0  0  0  0  0  0  0  0  0 38
    7.4249   -3.0414    0.0536 H   0  0  0  0  0  0  0  0  0 39
    3.6150   -5.2401   -0.5098 H   0  0  0  0  0  0  0  0  0 40
  1 15  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  9  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 17  1  0  0  0
  5  6  1  0  0  0
  5 10  1  0  0  0
  5 11  1  0  0  0
  6  7  1  0  0  0
  6  8  1  0  0  0
  6 19  1  0  0  0
  7 22  1  0  0  0
  7 23  1  0  0  0
  8 20  1  0  0  0
  8 21  1  0  0  0
  9 24  1  0  0  0
  9 25  1  0  0  0
  9 26  1  0  0  0
 10 12  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 13  1  0  0  0
 12 32  1  0  0  0
 12 33  1  0  0  0
 13 14  2  0  0  0
 13 34  1  0  0  0
 14 15  1  0  0  0
 14 16  1  0  0  0
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 15 36  1  0  0  0
 16 37  1  0  0  0
 16 38  1  0  0  0
 16 39  1  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
6857559

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
331

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
1

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
4

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceBwIAAAAAAAAAAAAAAAGAAAAYMGAAAAAAAAAAAAAAAAAAAAGgAACAAADwCggAICAAAAAgCAAiBCAAAAAAAgAAAACAAAAAgAFAIAAQAAUAAAgAAIEAMAgMAPgAAAAAAAAACAAAQAACAAAQAACAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
(Z)-5-[(3R)-2,3-dimethyl-4,5,6,7-tetrahydro-1H-tricyclo[2.2.1.0^{2,6}]heptan-3-yl]-2-methyl-pent-2-en-1-ol

> <PUBCHEM_IUPAC_CAS_NAME>
(Z)-5-[(3R)-2,3-dimethyl-4,5,6,7-tetrahydro-1H-tricyclo[2.2.1.0^{2,6}]heptan-3-yl]-2-methyl-2-penten-1-ol

> <PUBCHEM_IUPAC_NAME>
(Z)-5-[(3R)-2,3-dimethyl-4,5,6,7-tetrahydro-1H-tricyclo[2.2.1.0^{2,6}]heptan-3-yl]-2-methylpent-2-en-1-ol

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
(Z)-5-[(3R)-2,3-dimethyl-4,5,6,7-tetrahydro-1H-tricyclo[2.2.1.0^{2,6}]heptan-3-yl]-2-methyl-pent-2-en-1-ol

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(Z)-5-[(3R)-2,3-dimethyl-4,5,6,7-tetrahydro-1H-tricyclo[2.2.1.0^{2,6}]heptan-3-yl]-2-methyl-pent-2-en-1-ol

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C15H24O/c1-10(9-16)5-4-6-14(2)11-7-12-13(8-11)15(12,14)3/h5,11-13,16H,4,6-9H2,1-3H3/b10-5-/t11?,12?,13?,14-,15?/m1/s1

> <PUBCHEM_IUPAC_INCHIKEY>
PDEQKAVEYSOLJX-WTFAMLOTSA-N

> <PUBCHEM_XLOGP3_AA>
4

> <PUBCHEM_EXACT_MASS>
220.183

> <PUBCHEM_MOLECULAR_FORMULA>
C15H24O

> <PUBCHEM_MOLECULAR_WEIGHT>
220.35

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC(=CCCC1(C2CC3C1(C3C2)C)C)CO

> <PUBCHEM_OPENEYE_ISO_SMILES>
C/C(=C/CC[C@@]1(C2CC3C1(C3C2)C)C)/CO

> <PUBCHEM_CACTVS_TPSA>
20.2

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
220.183

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
16

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
1

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
2

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
1

> <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>
3  7  3
4  8  3
5  11  6

$$$$
