Magnolioside

Base Information

• Chemical Name: Magnolioside
• CAS No.: 20186-29-2
• Molecular Formula: C16H18O9
• Molecular Weight: 354.314
• UNII: IQ1QJO54R6
• DSSTox Substance ID: DTXSID70942241
• Nikkaji Number: J412.478B
• Wikidata: Q82919209
• ChEMBL ID: CHEMBL3922959
• Mol file: 20186-29-2.mol

Synonyms:Magnolioside;Methylesculin;20186-29-2;Esculin methyl ether;2H-1-Benzopyran-2-one, 6-(beta-D-glucopyranosyloxy)-7-methoxy-;IQ1QJO54R6;7-methoxy-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one;ISOSCOPOLIN;7-METHYLESCULIN;UNII-IQ1QJO54R6;AESCULIN METHYL ETHER;CHEMBL3922959;SCHEMBL17838079;DTXSID70942241;CHEBI:139433;HY-N7034;AKOS037514502;ISOSCOPOLETIN-.BETA.-D-GLUCOSIDE;MS-25507;CS-0101655;ISOSCOPOLETIN .BETA.-D-GLUCOPYRANOSIDE;F82442;7-Methoxy-2-oxo-2H-1-benzopyran-6-yl hexopyranoside;2H-1-Benzopyran-2-one, 6-(b-D-glucopyranosyloxy)-7-methoxy-;6-(.BETA.-D-GLUCOPYRANOSYLOXY)-7-METHOXY-2H-1-BENZOPYRAN-2-ONE;7-methoxy-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-chromen-2-one;NCGC00380360-01!7-methoxy-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one

Chemical Property of Magnolioside

Chemical Property:

• Vapor Pressure: 8.54E-18mmHg at 25°C
• Boiling Point: 650.2°Cat760mmHg
• Flash Point: 241.5°C
• PSA: 138.82000
• Density: 1.552g/cm³
• LogP: -1.01970
• XLogP3: -1.1
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 4
• Exact Mass: 354.09508215
• Heavy Atom Count: 25
• Complexity: 510

Purity/Quality:

≥98% ^*data from raw suppliers

Magnolioside ≥98% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=C(C=C2C=CC(=O)OC2=C1)OC3C(C(C(C(O3)CO)O)O)O
• Isomeric SMILES: COC1=C(C=C2C=CC(=O)OC2=C1)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O