
 CID 44577739

 65 68  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CID 44577739

>  <PubChem CID>
44577739

>  <Formula>
C27H34O4

>  <Molecular Weight>
422.565000

>  <IUPAC Name>
9-(4,4-diethyl-2-hydroxy-6-oxocyclohexen-1-yl)-3,3-diethyl-4,9-dihydro-2H-xanthen-1-one

>  <XlogP>
5.8

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CCC1(CC(=C(C(=O)C1)C2C3=CC=CC=C3OC4=C2C(=O)CC(C4)(CC)CC)O)CC

>  <Isomeric SMILES>
CCC1(CC(=C(C(=O)C1)C2C3=CC=CC=C3OC4=C2C(=O)CC(C4)(CC)CC)O)CC

>  <InChI Std. ID>
InChI=1S/C27H34O4/c1-5-26(6-2)13-18(28)24(19(29)14-26)23-17-11-9-10-12-21(17)31-22-16-27(7-3,8-4)15-20(30)25(22)23/h9-12,23,28H,5-8,13-16H2,1-4H3

>  <InChI Key>
ATOQTGFPODCSGM-UHFFFAOYSA-N

