
 SCHEMBL2194130

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M  END

>  <Chemical Name>
SCHEMBL2194130

>  <PubChem CID>
10046549

>  <Formula>
C24H32O5

>  <Molecular Weight>
400.515000

>  <IUPAC Name>
(Z)-7-[(1R,4S,5R)-4-hydroxy-5-[(E)-3-hydroxy-4-phenylbut-1-enyl]-3,3-dimethyl-2-oxocyclopentyl]hept-5-enoic acid

>  <XlogP>
3.0

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CC1(C(C(C(C1=O)CC=CCCCC(=O)O)C=CC(CC2=CC=CC=C2)O)O)C

>  <Isomeric SMILES>
CC1([C@H]([C@@H]([C@H](C1=O)C/C=C\CCCC(=O)O)/C=C/C(CC2=CC=CC=C2)O)O)C

>  <InChI Std. ID>
InChI=1S/C24H32O5/c1-24(2)22(28)19(12-8-3-4-9-13-21(26)27)20(23(24)29)15-14-18(25)16-17-10-6-5-7-11-17/h3,5-8,10-11,14-15,18-20,23,25,29H,4,9,12-13,16H2,1-2H3,(H,26,27)/b8-3-,15-14+/t18?,19-,20-,23+/m1/s1

>  <InChI Key>
BHGLRNRVCYDAJB-PGLZQVPMSA-N

