3,4,5-Trimethoxyphenyl β-D-glucopyranoside

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Systematic / IUPAC Name: (2R,3S,4S,5R,6S)-2-(Hydroxymethyl)-6-(3,4,5-trimethoxyphenoxy)oxane-3,4,5-triol

ID: Reference8079

Other Names: Koaburaside monomethyl ether;
Koaburside

Formula: C15H22O9

Spectral Data

3,4,5-Trimethoxyphenyl 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 1
No. of Spectra 162
Tandem Spectra MS1, MS2
Ionization Methods NSI
Analyzers FT
Last Modification 6/15/2018 11:02:56 AM
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Identificators

InChI InChI=1S/C15H22O9/c1-20-8-4-7(5-9(21-2)14(8)22-3)23-15-13(19)12(18)11(17)10(6-16)24-15/h4-5,10-13,15-19H,6H2,1-3H3/t10-,11-,12+,13-,15-/m1/s1
InChI Key NBLLRWANAFOKON-ZHZXCYKASA-N
Canonical SMILES COC1=CC(=CC(=C1OC)OC)OC2C(C(C(C(O2)CO)O)O)O
CAS
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Other Names Koaburaside monomethyl ether;
Koaburside

In Other Databases

ChEMBL CHEMBL469618
ChemSpider 552229
PubChem 636454
ChEBI CHEBI:68966