
 SCHEMBL5208850

 54 56  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
SCHEMBL5208850

>  <PubChem CID>
11955358

>  <Formula>
C21H29ClO3

>  <Molecular Weight>
364.910000

>  <IUPAC Name>
7-[(1R,2S,3R,5R)-5-chloro-2-(2,3-dihydro-1H-inden-5-yl)-3-hydroxycyclopentyl]heptanoic acid

>  <XlogP>
5.1

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
C1CC2=C(C1)C=C(C=C2)C3C(CC(C3CCCCCCC(=O)O)Cl)O

>  <Isomeric SMILES>
C1CC2=C(C1)C=C(C=C2)[C@H]3[C@@H](C[C@H]([C@@H]3CCCCCCC(=O)O)Cl)O

>  <InChI Std. ID>
InChI=1S/C21H29ClO3/c22-18-13-19(23)21(16-11-10-14-6-5-7-15(14)12-16)17(18)8-3-1-2-4-9-20(24)25/h10-12,17-19,21,23H,1-9,13H2,(H,24,25)/t17-,18+,19+,21+/m0/s1

>  <InChI Key>
AMMUDLZBSSMGFI-QEUVDIPISA-N

