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(2R,3S)-8-benzyl-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol
SpectraBase Compound ID 6gV8TJK0Wjg
InChI InChI=1S/C22H20O6/c23-16-7-6-13(9-19(16)26)21-20(27)10-15-18(25)11-17(24)14(22(15)28-21)8-12-4-2-1-3-5-12/h1-7,9,11,20-21,23-27H,8,10H2/t20-,21+/m0/s1
InChIKey JXJNWLGWPXGNIK-LEWJYISDSA-N
Mol Weight 380.4 g/mol
Molecular Formula C22H20O6
Exact Mass 380.125988 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6hv2AersA1d
Name (2R,3S)-8-benzyl-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol
Comments Less than 3 mono-isotopic peaks
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Formula C22H20O6
InChI InChI=1S/C22H20O6/c23-16-7-6-13(9-19(16)26)21-20(27)10-15-18(25)11-17(24)14(22(15)28-21)8-12-4-2-1-3-5-12/h1-7,9,11,20-21,23-27H,8,10H2/t20-,21+/m0/s1
InChIKey JXJNWLGWPXGNIK-LEWJYISDSA-N
Molecular Weight 380.396 g/mol
SMILES Oc1c2c(O[C@@]([C@](C2)(O)[H])(c2cc(O)c(cc2)O)[H])c(c(c1)O)Cc1ccccc1
SPLASH splash10-004i-0091000000-a825509212813dda954f
Source of Spectrum J-66-1293-24
Synonyms (2R,3S)-2-(3,4-dihydroxyphenyl)-8-(phenylmethyl)-3,4-dihydro-2H-1-benzopyran-3,5,7-triol (2R,3S)-8-benzyl-2-(3,4-dihydroxyphenyl)chromane-3,5,7-triol (2R,3S)-2-[3,4-bis(oxidanyl)phenyl]-8-(phenylmethyl)-3,4-dihydro-2H-chromene-3,5,7-triol
Wiley ID 1534527