
 CHEMBL1765586

 55 55  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL1765586

>  <PubChem CID>
52937278

>  <Formula>
C22H32O

>  <Molecular Weight>
312.497000

>  <IUPAC Name>
(2E,4E,6Z,8E)-7-methyl-3-propan-2-yl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenal

>  <XlogP>
7.000

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
1

>  <Canonical SMILES>
CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CC=O)C(C)C)C

>  <Isomeric SMILES>
CC1=C(C(CCC1)(C)C)/C=C/C(=C\C=C\C(=C\C=O)\C(C)C)/C

>  <InChI Std. ID>
InChI=1S/C22H32O/c1-17(2)20(14-16-23)11-7-9-18(3)12-13-21-19(4)10-8-15-22(21,5)6/h7,9,11-14,16-17H,8,10,15H2,1-6H3/b11-7+,13-12+,18-9-,20-14-

>  <InChI Key>
CVPWPPJZXQFTDS-QTGBNZISSA-N

