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[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(4-hydroxyphenoxy)oxan-2-yl]methyl benzoate
SpectraBase Compound ID 4cuPLOUXTwz
InChI InChI=1S/C19H20O8/c20-12-6-8-13(9-7-12)26-19-17(23)16(22)15(21)14(27-19)10-25-18(24)11-4-2-1-3-5-11/h1-9,14-17,19-23H,10H2/t14-,15-,16+,17-,19-/m1/s1
InChIKey ZNWJKOJJZQDPSW-OGJJZOIMSA-N
Mol Weight 376.36 g/mol
Molecular Formula C19H20O8
Exact Mass 376.115818 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID iU8JtzrjU
Name [(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(4-hydroxyphenoxy)oxan-2-yl]methyl benzoate
Alternate Name(s) [(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(4-hydroxyphenoxy)tetrahydropyran-2-yl]methyl benzoate [(2R,3S,4S,5R,6S)-3,4,5-tris(oxidanyl)-6-(4-oxidanylphenoxy)oxan-2-yl]methyl benzoate benzoic acid [(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(4-hydroxyphenoxy)-2-oxanyl]methyl ester
CAS Registry Number 71202-99-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H20O8
InChI InChI=1S/C19H20O8/c20-12-6-8-13(9-7-12)26-19-17(23)16(22)15(21)14(27-19)10-25-18(24)11-4-2-1-3-5-11/h1-9,14-17,19-23H,10H2/t14-,15-,16+,17-,19-/m1/s1
InChIKey ZNWJKOJJZQDPSW-OGJJZOIMSA-N
Molecular Weight 376.361 g/mol
SMILES O[C@@]1([C@]([C@](Oc2ccc(cc2)O)(O[C@@]([C@]1(O)[H])(COC(=O)c1ccccc1)[H])[H])(O)[H])[H]
SPLASH splash10-0cfr-0940000000-fff0bbd6a4f3d63db26f
Source of Spectrum KC-1979-241-0
Wiley ID 1357584