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2-Oxo-2H-chromen-7-yl 6-O-Acetyl-beta-D-glucopyronoside
SpectraBase Compound ID 6SPUrkOVkMO
InChI InChI=1S/C17H18O9/c1-8(18)23-7-12-14(20)15(21)16(22)17(26-12)24-10-4-2-9-3-5-13(19)25-11(9)6-10/h2-6,12,14-17,20-22H,7H2,1H3/t12-,14-,15+,16-,17-/m1/s1
InChIKey AWXXCGMRILXXHY-USACIQFYSA-N
Mol Weight 366.32 g/mol
Molecular Formula C17H18O9
Exact Mass 366.095082 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID If3N3tAm8Xk
Name 2-Oxo-2H-chromen-7-yl 6-O-Acetyl-beta-D-glucopyronoside
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H18O9
InChI InChI=1S/C17H18O9/c1-8(18)23-7-12-14(20)15(21)16(22)17(26-12)24-10-4-2-9-3-5-13(19)25-11(9)6-10/h2-6,12,14-17,20-22H,7H2,1H3/t12-,14-,15+,16-,17-/m1/s1
InChIKey AWXXCGMRILXXHY-USACIQFYSA-N
Literature Reference DOI 10.1002/hlca.200890203
Molecular Weight 366.322 g/mol
SMILES O[C@]1([C@@](O[C@@]([C@]([C@@]1(O)[H])(O)[H])(COC(C)=O)[H])(Oc1cc2OC(C=Cc2cc1)=O)[H])[H]
SPLASH splash10-03dl-5910000000-1ee485fbc1e0204adfac
Source of Spectrum H-91-1900-3
Synonyms 7-O-(6'-Acetoxy-beta-D-glucopyranosyl)coumarin ((2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-((2-oxo-2H-chromen-7-yl)oxy)tetrahydro-2H-pyran-2-yl)methyl acetate
Wiley ID 1785722