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(3R,4S,4A-S)-4-HYDROXY-7-METHOXY-3-METHYL-1,2,3,4-TETRAHYDROXANTHEN-1-ONE
SpectraBase Compound ID 94nPEoGJlF4
InChI InChI=1S/C15H16O4/c1-8-5-12(16)11-7-9-6-10(18-2)3-4-13(9)19-15(11)14(8)17/h3-4,6-8,14-15,17H,5H2,1-2H3/t8-,14+,15+/m1/s1
InChIKey KIWXXXVVIDGUOM-YIUPMNOESA-N
Mol Weight 260.29 g/mol
Molecular Formula C15H16O4
Exact Mass 260.104859 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2SPdmMbhxrP
Name (3R,4S,4aS)-4-hydroxy-7-methoxy-3-methyl-2,3,4,4a-tetrahydroxanthen-1-one
Comments Less than 3 mono-isotopic peaks
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Formula C15H16O4
InChI InChI=1S/C15H16O4/c1-8-5-12(16)11-7-9-6-10(18-2)3-4-13(9)19-15(11)14(8)17/h3-4,6-8,14-15,17H,5H2,1-2H3/t8-,14+,15+/m1/s1
InChIKey KIWXXXVVIDGUOM-YIUPMNOESA-N
Molecular Weight 260.289 g/mol
SMILES O[C@@]1([C@@]2(C(=Cc3c(ccc(c3)OC)O2)C(C[C@]1(C)[H])=O)[H])[H]
SPLASH splash10-0udi-0090000000-e335f6298307d577e1b5
Source of Spectrum K1-0-1544-17
Synonyms (3R,4S,4aS)-7-methoxy-3-methyl-4-oxidanyl-2,3,4,4a-tetrahydroxanthen-1-one
Wiley ID 1588641