(1ξ)-1,5-Anhydro-1-[(2R,3R)-3,5,7-trihydroxy-2-(4-hydroxyphenyl)-4-oxo-3,4-dihydro-2H-chromen-6-yl]-D-glucitol

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Systematic / IUPAC Name: (2R,3R)-3,5,7-Trihydroxy-2-(4-hydroxyphenyl)-6-[(3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-2,3-dihydrochromen-4-one

ID: Reference8223

Other Names: D-Glucitol, 1,5-anhydro-1-C-[(2R,3R)-3,4-dihydro-3,5,7-trihydroxy-2-(4-hydroxyphenyl)-4-oxo-2H-1-benzopyran-6-yl]-, (1ξ)-

Formula: C21H22O11

Spectral Data

(1ξ)-1,5-Anhydro-1-[(2R,3R)-3,5,7-trihydroxy-2-(4-hydroxyphenyl)-4-oxo-3,4-dihydro-2H-chromen-6-yl]-D-glucitol 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 3
No. of Spectra 11171
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 9/28/2018 5:54:00 AM
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Identificators

InChI InChI=1S/C21H22O11/c22-6-11-14(25)17(28)19(30)21(32-11)12-9(24)5-10-13(15(12)26)16(27)18(29)20(31-10)7-1-3-8(23)4-2-7/h1-5,11,14,17-26,28-30H,6H2/t11-,14-,17+,18+,19-,20-,21?/m1/s1
InChI Key SPSWAOUJDYQZHR-OIKOUPSRSA-N
Canonical SMILES C1=CC(=CC=C1C2C(C(=O)C3=C(C(=C(C=C3O2)O)C4C(C(C(C(O4)CO)O)O)O)O)O)O
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Other Names D-Glucitol, 1,5-anhydro-1-C-[(2R,3R)-3,4-dihydro-3,5,7-trihydroxy-2-(4-hydroxyphenyl)-4-oxo-2H-1-benzopyran-6-yl]-, (1ξ)-

In Other Databases

PubChem 45359599
ChemSpider 22913269