
 AL-8810

 60 62  0  0  0  0  0  0  0  0999 V2000
    1.9920   -1.2115    3.4773 C   0  0  0  0  0
    0.6735   -0.4425    3.3724 C   0  0  0  0  0
    0.4369   -0.1921    1.8738 C   0  0  0  0  0
    1.8849    0.0416    1.3772 C   0  0  0  0  0
    2.6837   -1.0379    2.1272 C   0  0  0  0  0
    2.5960   -2.2299    1.4702 F   0  0  0  0  0
    2.0184    0.1464   -0.1237 C   0  0  0  0  0
    2.9088   -0.5029   -0.8945 C   0  0  0  0  0
    3.0124   -0.4207   -2.3972 C   0  0  0  0  0
    1.7267   -0.8415   -3.1478 C   0  0  0  0  0
    1.9213   -0.7670   -4.6834 C   0  0  0  0  0
    2.3181   -2.1724   -5.0137 C   0  0  0  0  0
    2.9040   -2.6397   -6.1781 C   0  0  0  0  0
    3.1644   -4.0074   -6.2852 C   0  0  0  0  0
    2.8271   -4.8831   -5.2412 C   0  0  0  0  0
    2.2236   -4.4032   -4.0765 C   0  0  0  0  0
    1.9804   -3.0444   -3.9752 C   0  0  0  0  0
    1.3194   -2.3064   -2.8526 C   0  0  0  0  0
    3.3570    0.9199   -2.7441 O   0  0  0  0  0
   -0.2915   -1.3608    1.1794 C   0  0  0  0  0
   -1.6969   -1.5275    1.6936 C   0  0  0  0  0
   -2.1465   -2.6465    2.2809 C   0  0  0  0  0
   -3.5338   -2.8024    2.8348 C   0  0  0  0  0
   -4.3126   -3.9054    2.1126 C   0  0  0  0  0
   -5.6720   -4.1673    2.7524 C   0  0  0  0  0
   -6.6057   -3.0022    2.5777 C   0  0  0  0  0
   -7.2216   -2.7144    1.5653 O   0  0  0  0  0
   -6.6791   -2.2249    3.6764 O   0  0  0  0  0
    0.8489    0.8153    4.0322 O   0  0  0  0  0
    2.6164   -0.8247    4.2897 H   0  0  0  0  0
    1.8007   -2.2747    3.6597 H   0  0  0  0  0
   -0.1396   -0.9661    3.8835 H   0  0  0  0  0
   -0.1431    0.7288    1.7247 H   0  0  0  0  0
    2.2108    1.0162    1.7716 H   0  0  0  0  0
    3.7442   -0.7893    2.2288 H   0  0  0  0  0
    1.3139    0.8293   -0.5958 H   0  0  0  0  0
    3.6245   -1.1841   -0.4377 H   0  0  0  0  0
    3.8524   -1.0489   -2.7164 H   0  0  0  0  0
    0.9208   -0.1531   -2.8615 H   0  0  0  0  0
    2.6809   -0.0433   -4.9898 H   0  0  0  0  0
    0.9733   -0.5327   -5.1800 H   0  0  0  0  0
    3.1575   -1.9634   -6.9880 H   0  0  0  0  0
    3.6288   -4.3987   -7.1870 H   0  0  0  0  0
    3.0341   -5.9454   -5.3439 H   0  0  0  0  0
    1.9548   -5.0827   -3.2745 H   0  0  0  0  0
    1.6514   -2.6664   -1.8751 H   0  0  0  0  0
    0.2330   -2.4254   -2.9315 H   0  0  0  0  0
    2.7679    1.5142   -2.2529 H   0  0  0  0  0
    0.2651   -2.2969    1.2949 H   0  0  0  0  0
   -0.3594   -1.1687    0.1022 H   0  0  0  0  0
   -2.3653   -0.6772    1.5679 H   0  0  0  0  0
   -1.4797   -3.4993    2.3994 H   0  0  0  0  0
   -4.0777   -1.8530    2.7659 H   0  0  0  0  0
   -3.4506   -3.0440    3.9014 H   0  0  0  0  0
   -3.7357   -4.8380    2.1346 H   0  0  0  0  0
   -4.4424   -3.6348    1.0573 H   0  0  0  0  0
   -5.5707   -4.4024    3.8182 H   0  0  0  0  0
   -6.1490   -5.0387    2.2896 H   0  0  0  0  0
   -7.2928   -1.5062    3.4165 H   0  0  0  0  0
   -0.0241    1.2444    4.0697 H   0  0  0  0  0
  1  5  1  0  0  0
  1  2  1  0  0  0
  1 30  1  0  0  0
  1 31  1  0  0  0
  2  3  1  0  0  0
  2 29  1  0  0  0
  2 32  1  0  0  0
  3  4  1  0  0  0
  3 20  1  0  0  0
  3 33  1  0  0  0
  4  5  1  0  0  0
  4  7  1  0  0  0
  4 34  1  0  0  0
  5  6  1  0  0  0
  5 35  1  0  0  0
  7  8  2  0  0  0
  7 36  1  0  0  0
  8  9  1  0  0  0
  8 37  1  0  0  0
  9 19  1  0  0  0
  9 10  1  0  0  0
  9 38  1  0  0  0
 10 18  1  0  0  0
 10 11  1  0  0  0
 10 39  1  0  0  0
 11 12  1  0  0  0
 11 40  1  0  0  0
 11 41  1  0  0  0
 12 17  1  0  0  0
 12 13  2  0  0  0
 13 14  1  0  0  0
 13 42  1  0  0  0
 14 15  2  0  0  0
 14 43  1  0  0  0
 15 16  1  0  0  0
 15 44  1  0  0  0
 16 17  2  0  0  0
 16 45  1  0  0  0
 17 18  1  0  0  0
 18 46  1  0  0  0
 18 47  1  0  0  0
 19 48  1  0  0  0
 20 21  1  0  0  0
 20 49  1  0  0  0
 20 50  1  0  0  0
 21 22  2  0  0  0
 21 51  1  0  0  0
 22 23  1  0  0  0
 22 52  1  0  0  0
 23 24  1  0  0  0
 23 53  1  0  0  0
 23 54  1  0  0  0
 24 25  1  0  0  0
 24 55  1  0  0  0
 24 56  1  0  0  0
 25 26  1  0  0  0
 25 57  1  0  0  0
 25 58  1  0  0  0
 26 28  1  0  0  0
 26 27  2  0  0  0
 28 59  1  0  0  0
 29 60  1  0  0  0
M  END

>  <Chemical Name>
AL-8810

>  <PubChem CID>
5311238

>  <Formula>
C24H31FO4

>  <Molecular Weight>
402.506000

>  <IUPAC Name>
(Z)-7-[(1R,2R,3S,5S)-2-[(E,3R)-3-(2,3-dihydro-1H-inden-2-yl)-3-hydroxyprop-1-enyl]-3-fluoro-5-hydroxycyclopentyl]hept-5-enoic acid

>  <XlogP>
3.7

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
C1C(C(C(C1F)C=CC(C2CC3=CC=CC=C3C2)O)CC=CCCCC(=O)O)O

>  <Isomeric SMILES>
C1[C@@H]([C@@H]([C@H]([C@H]1F)/C=C/[C@@H](C2CC3=CC=CC=C3C2)O)C/C=C\CCCC(=O)O)O

>  <InChI Std. ID>
InChI=1S/C24H31FO4/c25-21-15-23(27)20(9-3-1-2-4-10-24(28)29)19(21)11-12-22(26)18-13-16-7-5-6-8-17(16)14-18/h1,3,5-8,11-12,18-23,26-27H,2,4,9-10,13-15H2,(H,28,29)/b3-1-,12-11+/t19-,20-,21+,22+,23+/m1/s1

>  <InChI Key>
WTYSXBKKVNOOIX-JTGCGUAKSA-N

