
 SCHEMBL14994383

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M  END

>  <Chemical Name>
SCHEMBL14994383

>  <PubChem CID>
1202745

>  <Formula>
C23H26O4

>  <Molecular Weight>
366.457000

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

>  <XlogP>
3.600

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CC1(CC(=C(C(=O)C1)C2C3=CC=CC=C3OC4=C2C(=O)CC(C4)(C)C)O)C

>  <Isomeric SMILES>
CC1(CC(=C(C(=O)C1)[C@@H]2C3=CC=CC=C3OC4=C2C(=O)CC(C4)(C)C)O)C

>  <InChI Std. ID>
InChI=1S/C23H26O4/c1-22(2)9-14(24)20(15(25)10-22)19-13-7-5-6-8-17(13)27-18-12-23(3,4)11-16(26)21(18)19/h5-8,19,24H,9-12H2,1-4H3/t19-/m0/s1

>  <InChI Key>
CCJIUBMPDVWYLU-IBGZPJMESA-N

