
 39746-25-3

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M  END

>  <Chemical Name>
39746-25-3

>  <PubChem CID>
1445

>  <Formula>
C22H36O5

>  <Molecular Weight>
380.525000

>  <IUPAC Name>
7-[3-hydroxy-2-(3-hydroxy-4,4-dimethyloct-1-enyl)-5-oxocyclopentyl]hept-5-enoic acid

>  <XlogP>
3.700

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CCCCC(C)(C)C(C=CC1C(CC(=O)C1CC=CCCCC(=O)O)O)O

>  <Isomeric SMILES>
CCCCC(C)(C)C(C=CC1C(CC(=O)C1CC=CCCCC(=O)O)O)O

>  <InChI Std. ID>
InChI=1S/C22H36O5/c1-4-5-14-22(2,3)20(25)13-12-17-16(18(23)15-19(17)24)10-8-6-7-9-11-21(26)27/h6,8,12-13,16-17,19-20,24-25H,4-5,7,9-11,14-15H2,1-3H3,(H,26,27)

>  <InChI Key>
QAOBBBBDJSWHMU-UHFFFAOYSA-N

