
 CHEMBL186192

 61 62  0  0  0  0  0  0  0  0999 V2000
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    1.4214    3.1932   -4.2749 H   0  0  0  0  0
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  1  5  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL186192

>  <PubChem CID>
44393462

>  <Formula>
C23H29F3O6

>  <Molecular Weight>
458.474000

>  <IUPAC Name>
(Z)-8-[(2R,3S,4R)-4-hydroxy-2-[(E,3R)-3-hydroxy-4-[3-(trifluoromethyl)phenoxy]but-1-enyl]oxolan-3-yl]oct-6-enoic acid

>  <XlogP>
3.4

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
9

>  <Canonical SMILES>
C1C(C(C(O1)C=CC(COC2=CC=CC(=C2)C(F)(F)F)O)CC=CCCCCC(=O)O)O

>  <Isomeric SMILES>
C1[C@@H]([C@@H]([C@H](O1)/C=C/[C@H](COC2=CC=CC(=C2)C(F)(F)F)O)C/C=C\CCCCC(=O)O)O

>  <InChI Std. ID>
InChI=1S/C23H29F3O6/c24-23(25,26)16-7-6-8-18(13-16)31-14-17(27)11-12-21-19(20(28)15-32-21)9-4-2-1-3-5-10-22(29)30/h2,4,6-8,11-13,17,19-21,27-28H,1,3,5,9-10,14-15H2,(H,29,30)/b4-2-,12-11+/t17-,19+,20+,21-/m1/s1

>  <InChI Key>
LZIPRNCBZWUUBX-WYULLOFSSA-N

