Kaempferol 3-sophoroside-7-glucoside

Base Information

• Chemical Name: Kaempferol 3-sophoroside-7-glucoside
• CAS No.: 55136-76-0
• Molecular Formula: C33H42O21
• Molecular Weight: 772.668
• DSSTox Substance ID: DTXSID401341603
• Metabolomics Workbench ID: 24840
• Nikkaji Number: J1.010.311H
• Wikidata: Q105160709

Synonyms:Kaempferol 3-sophoroside-7-glucoside;55136-76-0;3-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-2-(4-hydroxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one;Kaempferol-3-sophoroside-7-glucoside;DTXSID401341603;GLXC-19144;HY-N5117;AKOS040760498;FS-7169;Kaempferol 3-O-sophoroside 7-O-glucoside;XK161853;CS-0032433;E80722

Chemical Property of Kaempferol 3-sophoroside-7-glucoside

Chemical Property:

• Boiling Point: 1155.6±65.0 °C(Predicted)
• PKA: 5.80±0.40(Predicted)
• PSA: 370.58000
• Density: 1.84±0.1 g/cm3(Predicted)
• LogP: -5.57520
• XLogP3: -2.7
• Hydrogen Bond Donor Count: 13
• Hydrogen Bond Acceptor Count: 21
• Rotatable Bond Count: 10
• Exact Mass: 772.20620828
• Heavy Atom Count: 54
• Complexity: 1300

Purity/Quality:

≥98% ^*data from raw suppliers

Kaempferol 3-sophoroside-7-glucoside ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC(=CC=C1C2=C(C(=O)C3=C(C=C(C=C3O2)OC4C(C(C(C(O4)CO)O)O)O)O)OC5C(C(C(C(O5)CO)O)O)OC6C(C(C(C(O6)CO)O)O)O)O
• Isomeric SMILES: C1=CC(=CC=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)O

Technology Process of Kaempferol 3-sophoroside-7-glucoside

There total 3 articles about Kaempferol 3-sophoroside-7-glucoside which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

kaempferol 3-O-[6-(E)-feruloyl]-β-D-glucopyranosyl-(1→2)-β-D-glucopyranoside-7-O-β-D-glucopyranoside → kaempferol 3-O-β-D-[β-D-glucopyranosyl-(1→2)-glucopyranoside]-7-O-β-D-glucopyranoside (55136-76-0) + (E)-3-(4-hydroxy-3-methoxyphenyl)acrylic acid (1135-24-6,537-98-4)

Guidance literature:

With potassium hydroxide; at 20 ℃; for 24h;

DOI:10.5935/0103-5053.20140060

Reference yield:

kaempferol 3-O-β-D-glucopyranosyl-(1→2)-[6’’’-O-acetyl-β-D-glucopyranoside]-7-O-β-D-glucopyranoside → kaempferol 3-O-β-D-[β-D-glucopyranosyl-(1→2)-glucopyranoside]-7-O-β-D-glucopyranoside (55136-76-0)

Guidance literature:

With potassium hydroxide; at 20 ℃; for 24h;

DOI:10.5935/0103-5053.20140060

Reference yield:

3-O-β-sophorosyl-7-O-β-D-(2-O-feruloyl)glucosylkaempferol (87863-90-9) → kaempferol 3-O-β-D-[β-D-glucopyranosyl-(1→2)-glucopyranoside]-7-O-β-D-glucopyranoside (55136-76-0)

Guidance literature:

With potassium hydroxide;

DOI:10.1248/cpb.35.97

upstream raw materials:

3-O-β-sophorosyl-7-O-β-D-(2-O-feruloyl)glucosylkaempferol

Downstream raw materials:

C₆₉H₇₄O₃₇

kaempferol 7-glucoside

kaempferol-3-O-sophoroside

β-D-glucose

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