
 CID 9930634

 57 60  0  0  0  0  0  0  0  0999 V2000
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    4.8863   -2.0924   -3.3694 C   0  0  0  0  0
    6.6250   -4.2831   -5.8086 O   0  0  0  0  0
    6.3977   -5.5652   -5.2351 C   0  0  0  0  0
    5.5074    0.2599   -6.1395 O   0  0  0  0  0
    5.3084    1.4761   -5.4938 C   0  0  0  0  0
    4.6976    1.5620   -4.2981 C   0  0  0  0  0
    4.6164    2.8804   -3.6191 C   0  0  0  0  0
    4.0207    3.0004   -2.5503 O   0  0  0  0  0
    5.3677    4.0467   -4.2329 C   0  0  0  0  0
    5.3066    4.0238   -5.7681 C   0  0  0  0  0
    5.8098    2.6552   -6.2794 C   0  0  0  0  0
    3.8638    4.3025   -6.2389 C   0  0  0  0  0
    6.2098    5.1319   -6.3383 C   0  0  0  0  0
    2.3411    1.0639   -5.8695 O   0  0  0  0  0
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    5.5132   -4.1301   -3.2743 H   0  0  0  0  0
    4.4717   -2.1292   -2.3635 H   0  0  0  0  0
    6.8110   -6.3142   -5.9173 H   0  0  0  0  0
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M  END

>  <Chemical Name>
CID 9930634

>  <PubChem CID>
9930634

>  <Formula>
C24H28O5

>  <Molecular Weight>
396.483000

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

>  <XlogP>
3.6

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CC1(CC(=C(C(=O)C1)C2C3=C(C=C(C=C3)OC)OC4=C2C(=O)CC(C4)(C)C)O)C

>  <Isomeric SMILES>
CC1(CC(=C(C(=O)C1)C2C3=C(C=C(C=C3)OC)OC4=C2C(=O)CC(C4)(C)C)O)C

>  <InChI Std. ID>
InChI=1S/C24H28O5/c1-23(2)9-15(25)21(16(26)10-23)20-14-7-6-13(28-5)8-18(14)29-19-12-24(3,4)11-17(27)22(19)20/h6-8,20,25H,9-12H2,1-5H3

>  <InChI Key>
BRZZQQPCKOOFIK-UHFFFAOYSA-N

