
 SCHEMBL5205658

 71 73  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
SCHEMBL5205658

>  <PubChem CID>
11955213

>  <Formula>
C27H39ClO4

>  <Molecular Weight>
463.055000

>  <IUPAC Name>
methyl (Z)-7-[(1R,2S,3R,5R)-5-chloro-3-hydroxy-2-[3-[hydroxy-(1-propylcyclobutyl)methyl]phenyl]cyclopentyl]hept-5-enoate

>  <XlogP>
5.5

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CCCC1(CCC1)C(C2=CC=CC(=C2)C3C(CC(C3CC=CCCCC(=O)OC)Cl)O)O

>  <Isomeric SMILES>
CCCC1(CCC1)C(C2=CC=CC(=C2)[C@H]3[C@@H](C[C@H]([C@@H]3C/C=C\CCCC(=O)OC)Cl)O)O

>  <InChI Std. ID>
InChI=1S/C27H39ClO4/c1-3-14-27(15-9-16-27)26(31)20-11-8-10-19(17-20)25-21(22(28)18-23(25)29)12-6-4-5-7-13-24(30)32-2/h4,6,8,10-11,17,21-23,25-26,29,31H,3,5,7,9,12-16,18H2,1-2H3/b6-4-/t21-,22+,23+,25+,26?/m0/s1

>  <InChI Key>
AMSYNEAWRKZFHZ-UPBVYHFLSA-N

