
 CHEMBL2047151

 68 72  0  0  0  0  0  0  0  0999 V2000
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    6.1288    1.0090   -2.1446 H   0  0  0  0  0
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M  END

>  <Chemical Name>
CHEMBL2047151

>  <PubChem CID>
57414401

>  <Formula>
C30H32O6

>  <Molecular Weight>
488.580000

>  <IUPAC Name>
2-[6-[[3-[2,6-dimethyl-4-[(3-methyloxetan-3-yl)methoxy]phenyl]phenyl]methoxy]-2,3-dihydro-1-benzofuran-3-yl]acetic acid

>  <XlogP>
5.3

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CC1=CC(=CC(=C1C2=CC(=CC=C2)COC3=CC4=C(C=C3)C(CO4)CC(=O)O)C)OCC5(COC5)C

>  <Isomeric SMILES>
CC1=CC(=CC(=C1C2=CC(=CC=C2)COC3=CC4=C(C=C3)C(CO4)CC(=O)O)C)OCC5(COC5)C

>  <InChI Std. ID>
InChI=1S/C30H32O6/c1-19-9-25(36-18-30(3)16-33-17-30)10-20(2)29(19)22-6-4-5-21(11-22)14-34-24-7-8-26-23(12-28(31)32)15-35-27(26)13-24/h4-11,13,23H,12,14-18H2,1-3H3,(H,31,32)

>  <InChI Key>
DSXFQAMRYNFRDD-UHFFFAOYSA-N

