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1,3-Dihydro-7-[(3-methylbut-2-en-1-yl)oxy]-1-oxo-2-benzofuran-5-yl beta-d-glucopyranoside
SpectraBase Compound ID 3pvIkiksibN
InChI InChI=1S/C19H24O9/c1-9(2)3-4-25-12-6-11(5-10-8-26-18(24)14(10)12)27-19-17(23)16(22)15(21)13(7-20)28-19/h3,5-6,13,15-17,19-23H,4,7-8H2,1-2H3/t13-,15-,16+,17-,19-/m1/s1
InChIKey PBBAIBCPIOKQDI-WIMVFMHDSA-N
Mol Weight 396.39 g/mol
Molecular Formula C19H24O9
Exact Mass 396.142032 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EdszsXmvzWf
Name 1,3-Dihydro-7-[(3-methylbut-2-en-1-yl)oxy]-1-oxo-2-benzofuran-5-yl beta-d-glucopyranoside
Alternate Name(s) Gnaphalide C 7-((3-methylbut-2-en-1-yl)oxy)-5-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)isobenzofuran-1(3H)-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H24O9
InChI InChI=1S/C19H24O9/c1-9(2)3-4-25-12-6-11(5-10-8-26-18(24)14(10)12)27-19-17(23)16(22)15(21)13(7-20)28-19/h3,5-6,13,15-17,19-23H,4,7-8H2,1-2H3/t13-,15-,16+,17-,19-/m1/s1
InChIKey PBBAIBCPIOKQDI-WIMVFMHDSA-N
Literature Reference DOI 10.1002/hlca.201300445
Molecular Weight 396.392 g/mol
SMILES O[C@@]1([C@]([C@@]([C@@](CO)(O[C@]1(Oc1cc(c2c(c1)COC2=O)OCC=C(C)C)[H])[H])(O)[H])(O)[H])[H]
SPLASH splash10-014i-5950000000-630af37fe3c60c8b0cc7
Source of Spectrum H-97-1643-3
Wiley ID 1784829