5-Hydroxy-2-(4-hydroxy-3-methoxy-phenyl)-7-(3,4,5-trihydroxy-6-hydroxymethyl-tetrahydro-pyran-2-yloxy)-3-(3,4,5-trihydroxy-6-(3,4,5-trihydroxy-6-methyl-tetrahydro-pyran-2-yloxymethyl)-tetrahydro-pyran-2-yloxy)-1-benzopyran-4-one

Base Information

• Chemical Name: 5-Hydroxy-2-(4-hydroxy-3-methoxy-phenyl)-7-(3,4,5-trihydroxy-6-hydroxymethyl-tetrahydro-pyran-2-yloxy)-3-(3,4,5-trihydroxy-6-(3,4,5-trihydroxy-6-methyl-tetrahydro-pyran-2-yloxymethyl)-tetrahydro-pyran-2-yloxy)-1-benzopyran-4-one
• CAS No.: 55481-91-9
• Molecular Formula: C34H42O21
• Molecular Weight: 786.6847
• DSSTox Substance ID: DTXSID30970828
• Nikkaji Number: J3.124.164B
• Wikidata: Q82954090

Synonyms:55481-91-9;Isorhamnetin-3-O-rutinoside-7-O-glucoside;5-Hydroxy-2-(4-hydroxy-3-methoxy-phenyl)-7-(3,4,5-trihydroxy-6-hydroxymethyl-tetrahydro-pyran-2-yloxy)-3-(3,4,5-trihydroxy-6-(3,4,5-trihydroxy-6-methyl-tetrahydro-pyran-2-yloxymethyl)-tetrahydro-pyran-2-yloxy)-1-benzopyran-4-one;4H-1-BEnzopyran-4-one, 3-[[6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl]oxy]-7-(beta-D-glucopyranosyloxy)-5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-;5-Hydroxy-2-(4-hydroxy-3-methoxy-phenyl)-7-(3,4,5-trihydroxy-6-hydroxymethyl-tetrahydro-pyran-2-yloxy)-3-[3,4,5-trihydroxy-6-(3,4,5-trihydroxy-6-methyl-tetrahydro-pyran-2-yloxymethyl)-tetrahydro-pyran-2-yloxy]-1-benzopyran-4-one;auriculatin 4'A

Chemical Property of 5-Hydroxy-2-(4-hydroxy-3-methoxy-phenyl)-7-(3,4,5-trihydroxy-6-hydroxymethyl-tetrahydro-pyran-2-yloxy)-3-(3,4,5-trihydroxy-6-(3,4,5-trihydroxy-6-methyl-tetrahydro-pyran-2-yloxymethyl)-tetrahydro-pyran-2-yloxy)-1-benzopyran-4-one

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 1117.2°Cat760mmHg
• Flash Point: 348.1°C
• Density: 1.77g/cm³
• XLogP3: -2.8
• Hydrogen Bond Donor Count: 12
• Hydrogen Bond Acceptor Count: 21
• Rotatable Bond Count: 10
• Exact Mass: 786.22185834
• Heavy Atom Count: 55
• Complexity: 1340

Purity/Quality:

≥98% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

Useful:

• Canonical SMILES: CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)OC5C(C(C(C(O5)CO)O)O)O)C6=CC(=C(C=C6)O)OC)O)O)O)O)O)O
• Isomeric SMILES: C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)C6=CC(=C(C=C6)O)OC)O)O)O)O)O)O

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