
 BDBM82220

 58 60  0  0  0  0  0  0  0  0999 V2000
    1.7724    0.7520    1.7193 C   0  0  0  0  0
    1.6954    0.2468    0.2735 C   0  0  0  0  0
    2.6701    1.2214   -0.3516 C   0  0  0  0  0
    3.6366    1.4503    0.5498 C   0  0  0  0  0
    3.3014    0.6405    1.7823 C   0  0  0  0  0
    3.4693   -0.8807    1.5035 C   0  0  0  0  0
    2.4173   -1.1316    0.3536 C   0  0  0  0  0
    1.4359   -2.2754    0.6503 C   0  0  0  0  0
    2.1180   -3.6106    0.7745 C   0  0  0  0  0
    1.9298   -4.6407   -0.0653 C   0  0  0  0  0
    2.6074   -5.9728    0.0917 C   0  0  0  0  0
    3.4588   -6.3205   -1.1298 C   0  0  0  0  0
    4.1103   -7.6929   -0.9707 C   0  0  0  0  0
    4.8912   -8.0785   -2.1965 C   0  0  0  0  0
    5.3690   -7.3331   -3.0358 O   0  0  0  0  0
    5.0653   -9.4113   -2.2878 O   0  0  0  0  0
    4.8681   -1.3110    1.1439 C   0  0  0  0  0
    5.6677   -2.0213    1.9588 C   0  0  0  0  0
    7.0375   -2.5176    1.5697 C   0  0  0  0  0
    8.1104   -2.2887    2.6478 C   0  0  0  0  0
    8.3692   -0.8962    2.8266 O   0  0  0  0  0
    9.3378   -0.5671    3.7379 C   0  0  0  0  0
    9.5448    0.8070    3.9029 C   0  0  0  0  0
   10.5046    1.2776    4.8012 C   0  0  0  0  0
   11.2565    0.3683    5.5333 C   0  0  0  0  0
   11.0655   -0.9993    5.3819 C   0  0  0  0  0
   10.1040   -1.4700    4.4826 C   0  0  0  0  0
   12.1782    0.8144    6.3966 F   0  0  0  0  0
    6.9448   -3.9269    1.3379 O   0  0  0  0  0
    1.2577    0.1062    2.4386 H   0  0  0  0  0
    1.4050    1.7787    1.8447 H   0  0  0  0  0
    0.6988    0.2550   -0.1704 H   0  0  0  0  0
    2.6206    1.6086   -1.3582 H   0  0  0  0  0
    4.5200    2.0556    0.4145 H   0  0  0  0  0
    3.7460    1.0058    2.7094 H   0  0  0  0  0
    3.1504   -1.4190    2.4073 H   0  0  0  0  0
    2.9149   -1.3480   -0.6029 H   0  0  0  0  0
    0.6818   -2.3104   -0.1471 H   0  0  0  0  0
    0.8870   -2.0845    1.5799 H   0  0  0  0  0
    2.7934   -3.7330    1.6185 H   0  0  0  0  0
    1.2463   -4.5360   -0.9058 H   0  0  0  0  0
    1.8342   -6.7371    0.2346 H   0  0  0  0  0
    3.2363   -5.9849    0.9905 H   0  0  0  0  0
    4.2340   -5.5569   -1.2753 H   0  0  0  0  0
    2.8384   -6.3119   -2.0356 H   0  0  0  0  0
    3.3312   -8.4462   -0.8060 H   0  0  0  0  0
    4.7927   -7.7010   -0.1138 H   0  0  0  0  0
    5.5927   -9.5234   -3.1068 H   0  0  0  0  0
    5.2189   -1.0525    0.1454 H   0  0  0  0  0
    5.3211   -2.2755    2.9576 H   0  0  0  0  0
    7.3629   -2.0464    0.6352 H   0  0  0  0  0
    9.0266   -2.8005    2.3239 H   0  0  0  0  0
    7.7809   -2.7408    3.5926 H   0  0  0  0  0
    8.9543    1.5144    3.3256 H   0  0  0  0  0
   10.6681    2.3416    4.9313 H   0  0  0  0  0
   11.6662   -1.6922    5.9628 H   0  0  0  0  0
    9.9837   -2.5437    4.3875 H   0  0  0  0  0
    6.1535   -4.2572    1.7937 H   0  0  0  0  0
  1  2  1  0  0  0
  1  5  1  0  0  0
  1 30  1  0  0  0
  1 31  1  0  0  0
  2  7  1  0  0  0
  2  3  1  0  0  0
  2 32  1  0  0  0
  3  4  2  0  0  0
  3 33  1  0  0  0
  4  5  1  0  0  0
  4 34  1  0  0  0
  5  6  1  0  0  0
  5 35  1  0  0  0
  6  7  1  0  0  0
  6 17  1  0  0  0
  6 36  1  0  0  0
  7  8  1  0  0  0
  7 37  1  0  0  0
  8  9  1  0  0  0
  8 38  1  0  0  0
  8 39  1  0  0  0
  9 10  2  0  0  0
  9 40  1  0  0  0
 10 11  1  0  0  0
 10 41  1  0  0  0
 11 12  1  0  0  0
 11 42  1  0  0  0
 11 43  1  0  0  0
 12 13  1  0  0  0
 12 44  1  0  0  0
 12 45  1  0  0  0
 13 14  1  0  0  0
 13 46  1  0  0  0
 13 47  1  0  0  0
 14 16  1  0  0  0
 14 15  2  0  0  0
 16 48  1  0  0  0
 17 18  2  0  0  0
 17 49  1  0  0  0
 18 19  1  0  0  0
 18 50  1  0  0  0
 19 29  1  0  0  0
 19 20  1  0  0  0
 19 51  1  0  0  0
 20 21  1  0  0  0
 20 52  1  0  0  0
 20 53  1  0  0  0
 21 22  1  0  0  0
 22 23  2  0  0  0
 22 27  1  0  0  0
 23 24  1  0  0  0
 23 54  1  0  0  0
 24 25  2  0  0  0
 24 55  1  0  0  0
 25 26  1  0  0  0
 25 28  1  0  0  0
 26 27  2  0  0  0
 26 56  1  0  0  0
 27 57  1  0  0  0
 29 58  1  0  0  0
M  END

>  <Chemical Name>
BDBM82220

>  <PubChem CID>
57339534

>  <Formula>
C24H29FO4

>  <Molecular Weight>
400.490000

>  <IUPAC Name>
(E)-7-[(2S,3S)-3-[(E,3S)-4-(4-fluorophenoxy)-3-hydroxybut-1-enyl]-2-bicyclo[2.2.1]hept-5-enyl]hept-5-enoic acid

>  <XlogP>
4.3

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
C1C2C=CC1C(C2CC=CCCCC(=O)O)C=CC(COC3=CC=C(C=C3)F)O

>  <Isomeric SMILES>
C1C2C=CC1[C@@H]([C@H]2C/C=C/CCCC(=O)O)/C=C/[C@@H](COC3=CC=C(C=C3)F)O

>  <InChI Std. ID>
InChI=1S/C24H29FO4/c25-19-9-12-21(13-10-19)29-16-20(26)11-14-23-18-8-7-17(15-18)22(23)5-3-1-2-4-6-24(27)28/h1,3,7-14,17-18,20,22-23,26H,2,4-6,15-16H2,(H,27,28)/b3-1+,14-11+/t17?,18?,20-,22-,23-/m0/s1

>  <InChI Key>
XBEXHWPCLKUYDD-IEEHTABBSA-N

