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3'-O-METHYLCATECHIN

View entire compound with spectra: 2 NMR, and 1 MS (GC)

3'-O-METHYLCATECHIN
SpectraBase Compound ID 7ZOle6reVGe
InChI InChI=1S/C16H16O6/c1-21-15-4-8(2-3-11(15)18)16-13(20)7-10-12(19)5-9(17)6-14(10)22-16/h2-6,13,16-20H,7H2,1H3/t13-,16+/m0/s1
InChIKey NJHJXXLBWQXMRO-XJKSGUPXSA-N
Mol Weight 304.3 g/mol
Molecular Formula C16H16O6
Exact Mass 304.094688 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Li0Df0MAAVw
Name (2R,3S)-2-(3-methoxy-4-oxidanyl-phenyl)-3,4-dihydro-2H-chromene-3,5,7-triol
Alternate Name(s) (2R,3S)-2-(4-hydroxy-3-methoxy-phenyl)chroman-3,5,7-triol (2R,3S)-2-(4-hydroxy-3-methoxy-phenyl)chromane-3,5,7-triol (2R,3S)-2-(4-hydroxy-3-methoxyphenyl)-3,4-dihydro-2H-1-benzopyran-3,5,7-triol (2R,3S)-2-(4-hydroxy-3-methoxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol
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Formula C16H16O6
InChI InChI=1S/C16H16O6/c1-21-15-4-8(2-3-11(15)18)16-13(20)7-10-12(19)5-9(17)6-14(10)22-16/h2-6,13,16-20H,7H2,1H3/t13-,16+/m0/s1
InChIKey NJHJXXLBWQXMRO-XJKSGUPXSA-N
Molecular Weight 304.298 g/mol
SMILES Oc1cc(cc2c1C[C@@]([C@](O2)(c1cc(OC)c(cc1)O)[H])(O)[H])O
SPLASH splash10-00p0-2902000000-d7e7e844b568e98f36fc
Source of Spectrum K-2002-829-21
Wiley ID 1581096