Sibiricose A3

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Systematic / IUPAC Name: [(2R,3S,4S,5R,6R)-6-[(2S,3S,4S,5R)-3,4-Dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl 4-hydroxybenzoate

ID: Reference8088

Other Names: β-D-Fructofuranosyl 6-O-(4-hydroxybenzoyl)-α-D-glucopyranoside

Formula: C19H26O13

Spectral Data

Sibiricose A3 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 1
No. of Spectra 162
Tandem Spectra MS1, MS2
Ionization Methods NSI
Analyzers FT
Last Modification 6/29/2018 11:22:54 AM
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Identificators

InChI InChI=1S/C19H26O13/c20-5-10-13(24)16(27)19(7-21,31-10)32-18-15(26)14(25)12(23)11(30-18)6-29-17(28)8-1-3-9(22)4-2-8/h1-4,10-16,18,20-27H,5-7H2/t10-,11-,12-,13-,14+,15-,16+,18-,19+/m1/s1
InChI Key CDTIMEVVBBGLIF-OVUASUNJSA-N
Canonical SMILES C1=CC(=CC=C1C(=O)OCC2C(C(C(C(O2)OC3(C(C(C(O3)CO)O)O)CO)O)O)O)O
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Other Names β-D-Fructofuranosyl 6-O-(4-hydroxybenzoyl)-α-D-glucopyranoside

In Other Databases

PubChem 10813903
ChemSpider 8989208