Methyl 2-{[2-O-(6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranosyl]oxy}benzoate

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Systematic / IUPAC Name: Methyl 2-{[2-O-(6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranosyl]oxy}benzoate

ID: Reference7510

Other Names: Benzoic acid, 2-{[2-O-(6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranosyl]oxy}, methyl ester

Formula: C20H28O12

Spectral Data

Methyl 2-{[2-O-(6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranosyl]oxy}benzoate 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
No. of Spectral Trees 3
No. of Spectra 3111
Tandem Spectra MS1, MS2, MS3, MS4, MS5
Ionization Methods NSI
Analyzers FT
Last Modification 3/12/2018 8:57:05 AM
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Identificators

InChI InChI=1S/C20H28O12/c1-8-12(22)14(24)16(26)19(29-8)32-17-15(25)13(23)11(7-21)31-20(17)30-10-6-4-3-5-9(10)18(27)28-2/h3-6,8,11-17,19-26H,7H2,1-2H3/t8-,11+,12-,13+,14+,15-,16+,17+,19-,20+/m0/s1
InChI Key IPEXIFXOBNTVCE-HXPJHFNISA-N
Canonical SMILES CC1C(C(C(C(O1)OC2C(C(C(OC2OC3=CC=CC=C3C(=O)OC)CO)O)O)O)O)O
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Other Names Benzoic acid, 2-{[2-O-(6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranosyl]oxy}, methyl ester

In Other Databases

ChemSpider 22913940
PubChem 45360083