Rutarin

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Systematic / IUPAC Name: (2S)-2-(2-Hydroxy-2-propanyl)-7-oxo-2,3-dihydro-7H-furo[3,2-g]chromen-9-yl β-D-glucopyranoside

ID: Reference7423

Other Names: (2S)-2-(2-Hydroxypropan-2-yl)-9-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydrofuro[3,2-g]chromen-7-one;
7H-Furo[3,2-g][1]benzopyran-7-one, 9-(β-D-glucopyranosyloxy)-2,3-dihydro-2-(1-hydroxy-1-methylethyl)-, (2S)-

Formula: C20H24O10

Spectral Data

Rutarin mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

View Mass Spectra

Available MS Data

Used Instruments Orbitrap Fusion Lumos with ETD LBP
No. of Spectral Trees 3
No. of Spectra 3123
Tandem Spectra MS1, MS2, MS3, MS4, MS5
Ionization Methods NSI
Analyzers FT
Last Modification 2/20/2018 8:46:14 AM
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Identificators

InChI InChI=1S/C20H24O10/c1-20(2,26)11-6-9-5-8-3-4-12(22)29-16(8)18(17(9)28-11)30-19-15(25)14(24)13(23)10(7-21)27-19/h3-5,10-11,13-15,19,21,23-26H,6-7H2,1-2H3/t10-,11+,13-,14+,15-,19+/m1/s1
InChI Key JWWFVRMFYKPZNE-VVIWCBLHSA-N
Canonical SMILES CC(C)(C1CC2=C(O1)C(=C3C(=C2)C=CC(=O)O3)OC4C(C(C(C(O4)CO)O)O)O)O
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Other Names (2S)-2-(2-Hydroxypropan-2-yl)-9-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydrofuro[3,2-g]chromen-7-one;
7H-Furo[3,2-g][1]benzopyran-7-one, 9-(β-D-glucopyranosyloxy)-2,3-dihydro-2-(1-hydroxy-1-methylethyl)-, (2S)-

In Other Databases

ChemSpider 21542563; 4305420
KEGG C09309
PubChem 442149