
 Dronabinol

 53 55  0  0  0  0  0  0  0  0999 V2000
    1.3211    1.3698    1.6941 C   0  0  0  0  0
    2.8404    1.3287    1.7414 C   0  0  0  0  0
    3.4600    2.2549    0.6948 C   0  0  0  0  0
    4.9884    2.2081    0.7465 C   0  0  0  0  0
    5.6090    3.0968   -0.3366 C   0  0  0  0  0
    7.1182    3.0817   -0.3108 C   0  0  0  0  0
    7.8391    4.2560   -0.0672 C   0  0  0  0  0
    9.2398    4.2539   -0.0506 C   0  0  0  0  0
    9.9569    3.0771   -0.2799 C   0  0  0  0  0
   11.4692    3.0787   -0.3006 C   0  0  0  0  0
   12.0930    2.2967    0.8374 C   0  0  0  0  0
   13.2553    2.6217    1.4313 C   0  0  0  0  0
   14.0721    3.8116    1.0019 C   0  0  0  0  0
   13.5429    4.5173   -0.2470 C   0  0  0  0  0
   12.0105    4.5202   -0.3953 C   0  0  0  0  0
   11.2108    5.5020    0.5087 C   0  0  0  0  0
    9.8114    5.4798    0.1481 O   0  0  0  0  0
   11.2843    5.2947    2.0293 C   0  0  0  0  0
   11.6516    6.9516    0.2215 C   0  0  0  0  0
   13.8164    1.8173    2.5688 C   0  0  0  0  0
    9.2257    1.9095   -0.5492 C   0  0  0  0  0
    7.8293    1.9040   -0.5638 C   0  0  0  0  0
    9.9023    0.7515   -0.8258 O   0  0  0  0  0
    0.9005    0.6917    2.4427 H   0  0  0  0  0
    0.9510    1.0625    0.7112 H   0  0  0  0  0
    0.9502    2.3781    1.9019 H   0  0  0  0  0
    3.1764    0.2985    1.5719 H   0  0  0  0  0
    3.1780    1.6187    2.7437 H   0  0  0  0  0
    3.1175    3.2828    0.8631 H   0  0  0  0  0
    3.1170    1.9585   -0.3036 H   0  0  0  0  0
    5.3203    1.1701    0.6213 H   0  0  0  0  0
    5.3349    2.5331    1.7360 H   0  0  0  0  0
    5.2450    4.1241   -0.2119 H   0  0  0  0  0
    5.2767    2.7715   -1.3304 H   0  0  0  0  0
    7.3167    5.1940    0.1094 H   0  0  0  0  0
   11.7723    2.5661   -1.2261 H   0  0  0  0  0
   11.5560    1.4093    1.1683 H   0  0  0  0  0
   15.1023    3.4903    0.8039 H   0  0  0  0  0
   14.1324    4.5241    1.8309 H   0  0  0  0  0
   13.9543    5.5304   -0.3018 H   0  0  0  0  0
   13.9552    3.9937   -1.1217 H   0  0  0  0  0
   11.8080    4.8455   -1.4291 H   0  0  0  0  0
   10.9384    4.3031    2.3325 H   0  0  0  0  0
   10.6158    6.0000    2.5390 H   0  0  0  0  0
   12.2876    5.4600    2.4252 H   0  0  0  0  0
   11.5941    7.1724   -0.8505 H   0  0  0  0  0
   12.6707    7.1509    0.5653 H   0  0  0  0  0
   10.9831    7.6676    0.7149 H   0  0  0  0  0
   13.1562    0.9925    2.8556 H   0  0  0  0  0
   13.9555    2.4529    3.4489 H   0  0  0  0  0
   14.7848    1.3901    2.2902 H   0  0  0  0  0
    7.2860    0.9894   -0.7830 H   0  0  0  0  0
    9.2594    0.0464   -1.0047 H   0  0  0  0  0
  1  2  1  0  0  0
  1 24  1  0  0  0
  1 25  1  0  0  0
  1 26  1  0  0  0
  2  3  1  0  0  0
  2 27  1  0  0  0
  2 28  1  0  0  0
  3  4  1  0  0  0
  3 29  1  0  0  0
  3 30  1  0  0  0
  4  5  1  0  0  0
  4 31  1  0  0  0
  4 32  1  0  0  0
  5  6  1  0  0  0
  5 33  1  0  0  0
  5 34  1  0  0  0
  6  7  2  0  0  0
  6 22  1  0  0  0
  7  8  1  0  0  0
  7 35  1  0  0  0
  8 17  1  0  0  0
  8  9  2  0  0  0
  9 21  1  0  0  0
  9 10  1  0  0  0
 10 15  1  0  0  0
 10 11  1  0  0  0
 10 36  1  0  0  0
 11 12  2  0  0  0
 11 37  1  0  0  0
 12 20  1  0  0  0
 12 13  1  0  0  0
 13 14  1  0  0  0
 13 38  1  0  0  0
 13 39  1  0  0  0
 14 15  1  0  0  0
 14 40  1  0  0  0
 14 41  1  0  0  0
 15 16  1  0  0  0
 15 42  1  0  0  0
 16 17  1  0  0  0
 16 19  1  0  0  0
 16 18  1  0  0  0
 18 43  1  0  0  0
 18 44  1  0  0  0
 18 45  1  0  0  0
 19 46  1  0  0  0
 19 47  1  0  0  0
 19 48  1  0  0  0
 20 49  1  0  0  0
 20 50  1  0  0  0
 20 51  1  0  0  0
 21 22  2  0  0  0
 21 23  1  0  0  0
 22 52  1  0  0  0
 23 53  1  0  0  0
M  END

>  <Chemical Name>
Dronabinol

>  <PubChem CID>
16078

>  <Formula>
C21H30O2

>  <Molecular Weight>
314.469000

>  <IUPAC Name>
(6aR,10aR)-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-1-ol

>  <XlogP>
7.000

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
CCCCCC1=CC2=C(C3C=C(CCC3C(O2)(C)C)C)C(=C1)O

>  <Isomeric SMILES>
CCCCCC1=CC2=C([C@@H]3C=C(CC[C@H]3C(O2)(C)C)C)C(=C1)O

>  <InChI Std. ID>
InChI=1S/C21H30O2/c1-5-6-7-8-15-12-18(22)20-16-11-14(2)9-10-17(16)21(3,4)23-19(20)13-15/h11-13,16-17,22H,5-10H2,1-4H3/t16-,17-/m1/s1

>  <InChI Key>
CYQFCXCEBYINGO-IAGOWNOFSA-N

