[(2S,3R,4S,5S,6R)-2-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl] (E)-3-(4-hydroxyphenyl)prop-2-enoate

Base Information

• Chemical Name: [(2S,3R,4S,5S,6R)-2-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl] (E)-3-(4-hydroxyphenyl)prop-2-enoate
• CAS No.: 137018-32-7
• Molecular Formula: C30H26O13
• Molecular Weight: 594.5196
• DSSTox Substance ID: DTXSID301101965
• Nikkaji Number: J417.848C,J785.332G
• Wikidata: Q63408870
• Mol file: 137018-32-7.mol

Synonyms:137018-32-7;2''-p-Coumarylastragalin;Kaempferol-3-Glucoside-2''-p-coumaroyl;[(2S,3R,4S,5S,6R)-2-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl] (E)-3-(4-hydroxyphenyl)prop-2-enoate;MEGxp0_000397;CHEBI:192429;DTXSID301101965;2''-O-(E-4-Hydroxycinnamoyl)astragalin;Q63408870;(2S,3R,4S,5S,6R)-2-{[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-3-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl (2E)-3-(4-hydroxyphenyl)prop-2-enoate;(E)-(2S,3R,4S,5S,6R)-2-((5,7-Dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-3-yl)oxy)-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-3-yl 3-(4-hydroxyphenyl)acrylate;5,7-Dihydroxy-2-(4-hydroxyphenyl)-3-[[2-O-[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propen-1-yl]-beta-D-glucopyranosyl]oxy]-4H-1-benzopyran-4-one;5,7-Dihydroxy-2-(4-hydroxyphenyl)-3-[[2-O-[3-(4-hydroxyphenyl)propenoyl]-beta-D-glucopyranosyl]oxy]-4H-1-benzopyran-4-one

Chemical Property of [(2S,3R,4S,5S,6R)-2-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl] (E)-3-(4-hydroxyphenyl)prop-2-enoate

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 929.4°C at 760 mmHg
• Flash Point: 307°C
• Density: 1.68g/cm³
• XLogP3: 3
• Hydrogen Bond Donor Count: 7
• Hydrogen Bond Acceptor Count: 13
• Rotatable Bond Count: 8
• Exact Mass: 594.13734088
• Heavy Atom Count: 43
• Complexity: 1040

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1C=CC(=O)OC2C(C(C(OC2OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC=C(C=C5)O)CO)O)O)O
• Isomeric SMILES: C1=CC(=CC=C1/C=C/C(=O)O[C@@H]2[C@H]([C@@H]([C@H](O[C@H]2OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC=C(C=C5)O)CO)O)O)O