6450269
  DSViewer          3D                             0

 40 41  0  0  0  0  0  0  0  0999 V2000
    2.0495   -4.8462   -0.1644 O   0  0  0  0  0  0  0  0  0  1
    6.0521    2.2855    0.4381 C   0  0  2  0  0  0  0  0  0  2
    4.8430    1.5372   -0.1921 C   0  0  2  0  0  0  0  0  0  3
    4.6574    3.9344   -0.0717 C   0  0  2  0  0  0  0  0  0  4
    5.3444    3.3858    1.2525 C   0  0  0  0  0  0  0  0  0  5
    6.8438    3.0995   -0.6254 C   0  0  0  0  0  0  0  0  0  6
    4.0988    2.7013   -0.6748 C   0  0  0  0  0  0  0  0  0  7
    5.8877    4.2886   -0.9263 C   0  0  0  0  0  0  0  0  0  8
    4.0527    0.8173    0.9836 C   0  0  0  0  0  0  0  0  0  9
    5.2746    0.5360   -1.2909 C   0  0  0  0  0  0  0  0  0 10
    3.0412    2.6775   -1.5015 C   0  0  0  0  0  0  0  0  0 11
    2.8099   -0.0484    0.5810 C   0  0  0  0  0  0  0  0  0 12
    3.2879   -1.4657    0.3354 C   0  0  0  0  0  0  0  0  0 13
    2.4691   -2.4915    0.1147 C   0  0  0  0  0  0  0  0  0 14
    3.0707   -3.8564   -0.0757 C   0  0  0  0  0  0  0  0  0 15
    0.9771   -2.3053    0.0879 C   0  0  0  0  0  0  0  0  0 16
    6.7035    1.5854    0.9802 H   0  0  0  0  0  0  0  0  0 17
    3.9505    4.7679    0.0073 H   0  0  0  0  0  0  0  0  0 18
    4.6405    3.0063    1.9932 H   0  0  0  0  0  0  0  0  0 19
    6.0242    4.0941    1.7259 H   0  0  0  0  0  0  0  0  0 20
    7.7940    3.4513   -0.2236 H   0  0  0  0  0  0  0  0  0 21
    7.0250    2.5047   -1.5206 H   0  0  0  0  0  0  0  0  0 22
    5.6342    4.3345   -1.9854 H   0  0  0  0  0  0  0  0  0 23
    6.3257    5.2371   -0.6156 H   0  0  0  0  0  0  0  0  0 24
    4.7556    0.1631    1.4994 H   0  0  0  0  0  0  0  0  0 25
    3.7061    1.5911    1.6685 H   0  0  0  0  0  0  0  0  0 26
    4.3933    0.0405   -1.6981 H   0  0  0  0  0  0  0  0  0 27
    5.9439   -0.2094   -0.8613 H   0  0  0  0  0  0  0  0  0 28
    5.7909    1.0710   -2.0880 H   0  0  0  0  0  0  0  0  0 29
    2.6634    1.7261   -1.8760 H   0  0  0  0  0  0  0  0  0 30
    2.5603    3.6096   -1.7983 H   0  0  0  0  0  0  0  0  0 31
    2.0762   -0.0398    1.3870 H   0  0  0  0  0  0  0  0  0 32
    2.3582    0.3522   -0.3265 H   0  0  0  0  0  0  0  0  0 33
    4.3613   -1.6552    0.3397 H   0  0  0  0  0  0  0  0  0 34
    3.7176   -4.0841    0.7715 H   0  0  0  0  0  0  0  0  0 35
    3.6577   -3.8641   -0.9941 H   0  0  0  0  0  0  0  0  0 36
    0.4944   -3.2630   -0.1066 H   0  0  0  0  0  0  0  0  0 37
    0.7127   -1.5992   -0.6993 H   0  0  0  0  0  0  0  0  0 38
    0.6414   -1.9186    1.0501 H   0  0  0  0  0  0  0  0  0 39
    2.4701   -5.7392   -0.2565 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  5  1  0  0  0
  2  6  1  0  0  0
  2 17  1  0  0  0
  3  7  1  0  0  0
  3  9  1  0  0  0
  3 10  1  0  0  0
  4  5  1  0  0  0
  4  7  1  0  0  0
  4  8  1  0  0  0
  4 18  1  0  0  0
  5 19  1  0  0  0
  5 20  1  0  0  0
  6  8  1  0  0  0
  6 21  1  0  0  0
  6 22  1  0  0  0
  7 11  2  0  0  0
  8 23  1  0  0  0
  8 24  1  0  0  0
  9 12  1  0  0  0
  9 25  1  0  0  0
  9 26  1  0  0  0
 10 27  1  0  0  0
 10 28  1  0  0  0
 10 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
 15 35  1  0  0  0
 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>
6450269

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
315

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
1

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
4

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceBwIAAAAAAAAAAAAAAAAAAAAYMAAAAwAAAAAAAAAAAAAAAAGgAACAAADwCggAICAAAAAgCAAiBCAAAAAAAgAAAACAAAAAgAFAIAAQAAUAAAgAAIEAMAgMAPgAAAAAAAAAAAAAQAACAAAQAACAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
(E)-2-methyl-5-[(1S,2R,4R)-2-methyl-3-methylene-norbornan-2-yl]pent-2-en-1-ol

> <PUBCHEM_IUPAC_CAS_NAME>
(E)-2-methyl-5-[(1R,3R,4S)-3-methyl-2-methylene-3-bicyclo[2.2.1]heptanyl]-2-penten-1-ol

> <PUBCHEM_IUPAC_NAME>
(E)-2-methyl-5-[(1R,3R,4S)-3-methyl-2-methylidene-3-bicyclo[2.2.1]heptanyl]pent-2-en-1-ol

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
(E)-2-methyl-5-[(1R,3R,4S)-3-methyl-2-methylidene-3-bicyclo[2.2.1]heptanyl]pent-2-en-1-ol

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(E)-2-methyl-5-[(1S,2R,4R)-2-methyl-3-methylene-norbornan-2-yl]pent-2-en-1-ol

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C15H24O/c1-11(10-16)5-4-8-15(3)12(2)13-6-7-14(15)9-13/h5,13-14,16H,2,4,6-10H2,1,3H3/b11-5+/t13-,14+,15+/m1/s1

> <PUBCHEM_IUPAC_INCHIKEY>
OJYKYCDSGQGTRJ-BFONTGBQSA-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(C2CCC(C2)C1=C)C)CO

> <PUBCHEM_OPENEYE_ISO_SMILES>
C/C(=C\CC[C@@]1([C@H]2CC[C@H](C2)C1=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>
3

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

> <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>
2  17  5
3  10  6
4  18  6

$$$$
