
 Morphinan-3-ol, 17-(2-propenyl)-

 46 49  0  0  0  0  0  0  0  0999 V2000
    2.7758    0.1726   -2.8692 C   0  0  0  0  0
    3.3037    0.0125   -1.6485 C   0  0  0  0  0
    3.4915    1.1205   -0.6519 C   0  0  0  0  0
    4.8794    1.2519   -0.1852 N   0  0  0  0  0
    4.9355    2.2270    0.9198 C   0  0  0  0  0
    6.3556    2.5083    1.4435 C   0  0  0  0  0
    7.3397    2.8151    0.2891 C   0  0  0  0  0
    8.7975    3.0091    0.8118 C   0  0  0  0  0
    9.6889    1.7837    0.6199 C   0  0  0  0  0
    9.7736    1.3713   -0.8524 C   0  0  0  0  0
    8.4493    1.5295   -1.6098 C   0  0  0  0  0
    7.2698    1.5662   -0.6319 C   0  0  0  0  0
    5.8740    1.4936   -1.2695 C   0  0  0  0  0
    5.6483    2.7160   -2.1813 C   0  0  0  0  0
    6.0301    4.0351   -1.5579 C   0  0  0  0  0
    6.8407    4.1030   -0.4050 C   0  0  0  0  0
    7.1012    5.3707    0.1535 C   0  0  0  0  0
    6.6141    6.5272   -0.4521 C   0  0  0  0  0
    5.8549    6.4587   -1.6086 C   0  0  0  0  0
    5.5626    5.2154   -2.1609 C   0  0  0  0  0
    6.8592    7.7621    0.0727 O   0  0  0  0  0
    2.6658   -0.6727   -3.5415 H   0  0  0  0  0
    2.4463    1.1442   -3.2256 H   0  0  0  0  0
    3.6183   -0.9787   -1.3300 H   0  0  0  0  0
    2.8542    0.8690    0.2064 H   0  0  0  0  0
    3.1105    2.0718   -1.0437 H   0  0  0  0  0
    4.3470    1.8429    1.7629 H   0  0  0  0  0
    4.4606    3.1720    0.6271 H   0  0  0  0  0
    6.7078    1.6342    2.0079 H   0  0  0  0  0
    6.3131    3.3391    2.1596 H   0  0  0  0  0
    8.7909    3.2928    1.8714 H   0  0  0  0  0
    9.2925    3.8323    0.2792 H   0  0  0  0  0
    9.3019    0.9511    1.2202 H   0  0  0  0  0
   10.6970    1.9910    0.9975 H   0  0  0  0  0
   10.5444    1.9630   -1.3609 H   0  0  0  0  0
   10.1070    0.3277   -0.9045 H   0  0  0  0  0
    8.3375    0.7012   -2.3194 H   0  0  0  0  0
    8.4913    2.4470   -2.2080 H   0  0  0  0  0
    7.3729    0.6556   -0.0189 H   0  0  0  0  0
    5.8655    0.6045   -1.9133 H   0  0  0  0  0
    6.2547    2.5947   -3.0889 H   0  0  0  0  0
    4.6085    2.7555   -2.5222 H   0  0  0  0  0
    7.6774    5.4493    1.0706 H   0  0  0  0  0
    5.4817    7.3668   -2.0721 H   0  0  0  0  0
    4.9529    5.1667   -3.0606 H   0  0  0  0  0
    7.4032    7.6562    0.8697 H   0  0  0  0  0
  1  2  2  0  0  0
  1 22  1  0  0  0
  1 23  1  0  0  0
  2  3  1  0  0  0
  2 24  1  0  0  0
  3  4  1  0  0  0
  3 25  1  0  0  0
  3 26  1  0  0  0
  4  5  1  0  0  0
  4 13  1  0  0  0
  5  6  1  0  0  0
  5 27  1  0  0  0
  5 28  1  0  0  0
  6  7  1  0  0  0
  6 29  1  0  0  0
  6 30  1  0  0  0
  7 16  1  0  0  0
  7  8  1  0  0  0
  7 12  1  0  0  0
  8  9  1  0  0  0
  8 31  1  0  0  0
  8 32  1  0  0  0
  9 10  1  0  0  0
  9 33  1  0  0  0
  9 34  1  0  0  0
 10 11  1  0  0  0
 10 35  1  0  0  0
 10 36  1  0  0  0
 11 12  1  0  0  0
 11 37  1  0  0  0
 11 38  1  0  0  0
 12 13  1  0  0  0
 12 39  1  0  0  0
 13 14  1  0  0  0
 13 40  1  0  0  0
 14 15  1  0  0  0
 14 41  1  0  0  0
 14 42  1  0  0  0
 15 16  2  0  0  0
 15 20  1  0  0  0
 16 17  1  0  0  0
 17 18  2  0  0  0
 17 43  1  0  0  0
 18 19  1  0  0  0
 18 21  1  0  0  0
 19 20  2  0  0  0
 19 44  1  0  0  0
 20 45  1  0  0  0
 21 46  1  0  0  0
M  END

>  <Chemical Name>
Morphinan-3-ol, 17-(2-propenyl)-

>  <PubChem CID>
3912

>  <Formula>
C19H25NO

>  <Molecular Weight>
283.415000

>  <IUPAC Name>


>  <XlogP>
3.500

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
C=CCN1CCC23CCCCC2C1CC4=C3C=C(C=C4)O

>  <Isomeric SMILES>
C=CCN1CCC23CCCCC2C1CC4=C3C=C(C=C4)O

>  <InChI Std. ID>
InChI=1S/C19H25NO/c1-2-10-20-11-9-19-8-4-3-5-16(19)18(20)12-14-6-7-15(21)13-17(14)19/h2,6-7,13,16,18,21H,1,3-5,8-12H2

>  <InChI Key>
OZYUPQUCAUTOBP-UHFFFAOYSA-N

