(3S)-3-Hydroxy-2-methyl-4-[(7-oxo-7H-furo[3,2-g]chromen-4-yl)oxy]-2-butanyl β-D-glucopyranoside

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Systematic / IUPAC Name: 4-[(2S)-2-Hydroxy-3-methyl-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutoxy]furo[3,2-g]chromen-7-one

ID: Reference8230

Other Names: 7H-Furo[3,2-g][1]benzopyran-7-one, 4-[(2S)-3-(β-D-glucopyranosyloxy)-2-hydroxy-3-methylbutoxy]-

Formula: C22H26O11

Spectral Data

(3S)-3-Hydroxy-2-methyl-4-[(7-oxo-7H-furo[3,2-g]chromen-4-yl)oxy]-2-butanyl β-D-glucopyranoside mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Orbitrap Fusion Lumos with ETD LBP FAIMS
No. of Spectral Trees 4
No. of Spectra 4419
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 10/4/2018 12:32:23 PM
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Identificators

InChI InChI=1S/C22H26O11/c1-22(2,33-21-19(28)18(27)17(26)14(8-23)32-21)15(24)9-30-20-10-3-4-16(25)31-13(10)7-12-11(20)5-6-29-12/h3-7,14-15,17-19,21,23-24,26-28H,8-9H2,1-2H3/t14-,15+,17-,18+,19-,21+/m1/s1
InChI Key VCJBNRNRYLKSGX-OOBAEQHESA-N
Canonical SMILES CC(C)(C(COC1=C2C=CC(=O)OC2=CC3=C1C=CO3)O)OC4C(C(C(C(O4)CO)O)O)O
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Other Names 7H-Furo[3,2-g][1]benzopyran-7-one, 4-[(2S)-3-(β-D-glucopyranosyloxy)-2-hydroxy-3-methylbutoxy]-

In Other Databases

ChemSpider 22913305
PubChem 23958168
ChEBI CHEBI:93999