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[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(3-methyl-4-oxo-pyran-2-yl)oxy-tetrahydropyran-2-yl]methyl (E)-3-phenylprop-2-enoate

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[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(3-methyl-4-oxo-pyran-2-yl)oxy-tetrahydropyran-2-yl]methyl (E)-3-phenylprop-2-enoate
SpectraBase Compound ID 92yFitNEfJh
InChI InChI=1S/C21H22O9/c1-12-14(22)9-10-27-20(12)30-21-19(26)18(25)17(24)15(29-21)11-28-16(23)8-7-13-5-3-2-4-6-13/h2-10,15,17-19,21,24-26H,11H2,1H3/b8-7+/t15-,17-,18+,19-,21+/m1/s1
InChIKey JRUMXTPQUYPUHC-WPQZBVJZSA-N
Mol Weight 418.4 g/mol
Molecular Formula C21H22O9
Exact Mass 418.126382 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8YzmEcWaFez
Name [(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(3-methyl-4-oxo-pyran-2-yl)oxy-tetrahydropyran-2-yl]methyl (E)-3-phenylprop-2-enoate
CAS Registry Number 84888-58-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H22O9
InChI InChI=1S/C21H22O9/c1-12-14(22)9-10-27-20(12)30-21-19(26)18(25)17(24)15(29-21)11-28-16(23)8-7-13-5-3-2-4-6-13/h2-10,15,17-19,21,24-26H,11H2,1H3/b8-7+/t15-,17-,18+,19-,21+/m1/s1
InChIKey JRUMXTPQUYPUHC-WPQZBVJZSA-N
Molecular Weight 418.398 g/mol
SMILES O[C@]1([C@@]([C@](O[C@]([C@@]1(O)[H])(OC1=C(C(=O)C=CO1)C)[H])(COC(\C=C\c1ccccc1)=O)[H])(O)[H])[H]
SPLASH splash10-003r-2900000000-bc72dbedba3347f1d8f5
Source of Spectrum H-65-2484-0
Synonyms [(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(3-methyl-4-oxopyran-2-yl)oxyoxan-2-yl]methyl (E)-3-phenylprop-2-enoate [(2R,3S,4S,5R,6S)-6-(3-methyl-4-oxidanylidene-pyran-2-yl)oxy-3,4,5-tris(oxidanyl)oxan-2-yl]methyl (E)-3-phenylprop-2-enoate (E)-3-phenyl-2-propenoic acid [(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[(3-methyl-4-oxo-2-pyranyl)oxy]-2-oxanyl]methyl ester
Wiley ID 1377094