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1,9a-trans-4a,9a-trans-1,9a-Dihydroxy-4a-methyl-1,2,3,4,4a,9a-hexahydroxanthene-9-one
SpectraBase Compound ID JYXWGR58ZYz
InChI InChI=1S/C14H16O4/c1-13-8-4-7-11(15)14(13,17)12(16)9-5-2-3-6-10(9)18-13/h2-3,5-6,11,15,17H,4,7-8H2,1H3/t11-,13-,14-/m0/s1
InChIKey LMLAZSRVNRUGQO-UBHSHLNASA-N
Mol Weight 248.28 g/mol
Molecular Formula C14H16O4
Exact Mass 248.104859 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 44a2bSedZ4E
Name 1,9a-trans-4a,9a-trans-1,9a-Dihydroxy-4a-methyl-1,2,3,4,4a,9a-hexahydroxanthene-9-one
Comments Less than 3 mono-isotopic peaks
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Formula C14H16O4
InChI InChI=1S/C14H16O4/c1-13-8-4-7-11(15)14(13,17)12(16)9-5-2-3-6-10(9)18-13/h2-3,5-6,11,15,17H,4,7-8H2,1H3/t11-,13-,14-/m0/s1
InChIKey LMLAZSRVNRUGQO-UBHSHLNASA-N
Molecular Weight 248.278 g/mol
SMILES O[C@]1(CCC[C@@]2(Oc3ccccc3C([C@@]12O)=O)C)[H]
SPLASH splash10-00di-0930000000-43aaa7bd2c32d36745df
Source of Spectrum QE-12-3654-24
Wiley ID 1586924