
 Norcodeine

 40 44  0  0  0  0  0  0  0  0999 V2000
    4.5499   -0.4545    0.5814 C   0  0  0  0  0
    3.4981    0.3826    0.1213 O   0  0  0  0  0
    3.7392    1.7257    0.1054 C   0  0  0  0  0
    2.6866    2.5406   -0.2721 C   0  0  0  0  0
    2.8401    3.9085   -0.3023 C   0  0  0  0  0
    4.0558    4.5493   -0.1236 C   0  0  0  0  0
    4.1783    6.0066   -0.5244 C   0  0  0  0  0
    2.8889    6.6286   -1.2158 C   0  0  0  0  0
    2.0637    5.4920   -1.8896 C   0  0  0  0  0
    1.5968    4.5835   -0.7425 C   0  0  0  0  0
    0.9615    5.3629    0.4412 C   0  0  0  0  0
    0.8743    6.8645    0.1851 C   0  0  0  0  0
    2.1281    7.4558   -0.2575 N   0  0  0  0  0
    0.7586    3.3517   -1.1422 C   0  0  0  0  0
    1.4624    2.1293   -0.7464 O   0  0  0  0  0
    0.3819    3.3394   -2.6463 C   0  0  0  0  0
    0.1349    4.7351   -3.1783 C   0  0  0  0  0
    0.9014    5.7773   -2.8013 C   0  0  0  0  0
    1.4153    2.7630   -3.4433 O   0  0  0  0  0
    5.1267    3.7514    0.2707 C   0  0  0  0  0
    4.9619    2.3523    0.4053 C   0  0  0  0  0
    4.1834   -1.4856    0.5768 H   0  0  0  0  0
    4.8328   -0.2068    1.6099 H   0  0  0  0  0
    5.4140   -0.4056   -0.0892 H   0  0  0  0  0
    4.4938    6.5998    0.3419 H   0  0  0  0  0
    4.9918    6.0695   -1.2601 H   0  0  0  0  0
    3.2436    7.3207   -1.9897 H   0  0  0  0  0
    2.7829    4.9715   -2.5461 H   0  0  0  0  0
   -0.0568    5.0123    0.6471 H   0  0  0  0  0
    1.5221    5.1962    1.3713 H   0  0  0  0  0
    0.0923    7.0750   -0.5532 H   0  0  0  0  0
    0.5476    7.3701    1.1016 H   0  0  0  0  0
    2.7051    7.6882    0.5497 H   0  0  0  0  0
   -0.1872    3.3391   -0.5856 H   0  0  0  0  0
   -0.5109    2.7202   -2.7854 H   0  0  0  0  0
   -0.6596    4.8682   -3.9060 H   0  0  0  0  0
    0.7614    6.7719   -3.2117 H   0  0  0  0  0
    1.7885    2.0339   -2.9113 H   0  0  0  0  0
    6.1091    4.1895    0.4325 H   0  0  0  0  0
    5.8327    1.7739    0.6989 H   0  0  0  0  0
  1  2  1  0  0  0
  1 22  1  0  0  0
  1 23  1  0  0  0
  1 24  1  0  0  0
  2  3  1  0  0  0
  3  4  2  0  0  0
  3 21  1  0  0  0
  4 15  1  0  0  0
  4  5  1  0  0  0
  5 10  1  0  0  0
  5  6  2  0  0  0
  6 20  1  0  0  0
  6  7  1  0  0  0
  7  8  1  0  0  0
  7 25  1  0  0  0
  7 26  1  0  0  0
  8 13  1  0  0  0
  8  9  1  0  0  0
  8 27  1  0  0  0
  9 10  1  0  0  0
  9 18  1  0  0  0
  9 28  1  0  0  0
 10 11  1  0  0  0
 10 14  1  0  0  0
 11 12  1  0  0  0
 11 29  1  0  0  0
 11 30  1  0  0  0
 12 13  1  0  0  0
 12 31  1  0  0  0
 12 32  1  0  0  0
 13 33  1  0  0  0
 14 15  1  0  0  0
 14 16  1  0  0  0
 14 34  1  0  0  0
 16 17  1  0  0  0
 16 19  1  0  0  0
 16 35  1  0  0  0
 17 18  2  0  0  0
 17 36  1  0  0  0
 18 37  1  0  0  0
 19 38  1  0  0  0
 20 21  2  0  0  0
 20 39  1  0  0  0
 21 40  1  0  0  0
M  END

>  <Chemical Name>
Norcodeine

>  <PubChem CID>
9925873

>  <Formula>
C17H19NO3

>  <Molecular Weight>
285.343000

>  <IUPAC Name>
(4R,4aR,7S,7aR,12bS)-9-methoxy-1,2,3,4,4a,7,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinoline-7-ol

>  <XlogP>
0.700

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
COC1=C2C3=C(CC4C5C3(CCN4)C(O2)C(C=C5)O)C=C1

>  <Isomeric SMILES>
COC1=C2C3=C(C[C@@H]4[C@H]5[C@]3(CCN4)[C@@H](O2)[C@H](C=C5)O)C=C1

>  <InChI Std. ID>
InChI=1S/C17H19NO3/c1-20-13-5-2-9-8-11-10-3-4-12(19)16-17(10,6-7-18-11)14(9)15(13)21-16/h2-5,10-12,16,18-19H,6-8H2,1H3/t10-,11+,12-,16-,17-/m0/s1

>  <InChI Key>
HKOIXWVRNLGFOR-KOFBORESSA-N

