6''-O-Acetylgenistin

Base Information

• Chemical Name: 6''-O-Acetylgenistin
• CAS No.: 73566-30-0
• Molecular Formula: C23H22O11
• Molecular Weight: 474.421
• Hs Code.: 2932990090
• UNII: TM9DKF05SX
• DSSTox Substance ID: DTXSID10994345
• Nikkaji Number: J759.937D
• Wikidata: Q27290020
• Mol file: 73566-30-0.mol

Synonyms:6''-O-ACETYLGENISTIN;73566-30-0;6"-O-Acetylgenistin;6'-O-Acetylgenistin;UNII-TM9DKF05SX;TM9DKF05SX;Genistin 6''-O-acetate;5-Hydroxy-3-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl 6-O-acetyl-.beta.-D-glucopyranoside;4H-1-Benzopyran-4-one, 7-((6-O-acetyl-beta-D-glucopyranosyl)oxy)-5-hydroxy-3-(4-hydroxyphenyl)-;Acetyl-genistin;4H-1-BENZOPYRAN-4-ONE, 7-((6-O-ACETYL-.BETA.-D-GLUCOPYRANOSYL)OXY)-5-HYDROXY-3-(4-HYDROXYPHENYL)-;4H-1-Benzopyran-4-one, 7-[(6-O-acetyl-.beta.-D-glucopyranosyl)oxy]-5-hydroxy-3-(4-hydroxyphenyl)-;6-O-Acetyl genistin;6/'/'-O-Acetylgenistin;DTXSID10994345;DXWGBJJLEDQBKS-LDBVRRDLSA-N;HY-N4070;C23H22O11;AKOS030211064;C23-H22-O11;[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[5-hydroxy-3-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxyoxan-2-yl]methyl acetate;MS-28797;CS-0030644;W-203678;Q27290020;ACETYL GENISTIN (CONSTITUENT OF SOY ISOFLAVONES) [DSC];5-Hydroxy-3-(4-hydroxyphenyl)-4-oxo-4H-1-benzopyran-7-yl 6-O-acetylhexopyranoside;((2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(5-hydroxy-3-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yloxy)tetrahydro-2H-pyran-2-yl)methyl acetate

Chemical Property of 6''-O-Acetylgenistin

Chemical Property:

• Vapor Pressure: 4.42E-25mmHg at 25°C
• Refractive Index: 1.672
• Boiling Point: 772.1 °C at 760 mmHg
• PKA: 6.11±0.20(Predicted)
• Flash Point: 268.4 °C
• PSA: 176.12000
• Density: 1.569 g/cm³
• LogP: 0.62070
• XLogP3: 0.9
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 11
• Rotatable Bond Count: 6
• Exact Mass: 474.11621151
• Heavy Atom Count: 34
• Complexity: 777

Purity/Quality:

98%min ^*data from raw suppliers

6-O-Acetylgenistin 90% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)OCC1C(C(C(C(O1)OC2=CC(=C3C(=C2)OC=C(C3=O)C4=CC=C(C=C4)O)O)O)O)O
• Isomeric SMILES: CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)OC2=CC(=C3C(=C2)OC=C(C3=O)C4=CC=C(C=C4)O)O)O)O)O

Technology Process of 6''-O-Acetylgenistin

There total 1 articles about 6''-O-Acetylgenistin 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: 57.0%

6''-O-malonylgenistin (51011-05-3) → genistein-7-O-β-D-(6''-O-acetylglucopyranoside) (73566-30-0)

Guidance literature:

In N,N-dimethyl-formamide; at 60 ℃; for 3h;

DOI:10.1248/cpb.45.1593

Reference yield: 99.9%

genistein-7-O-β-D-(6''-O-acetylglucopyranoside) (73566-30-0) → 5,7-Dihydroxy-3-(4-hydroxy-phenyl)-chromen-4-on (446-72-0)

Guidance literature:

diglycosidase, produced by Penicillium multicolor IAM₇₁₅₃; In methanol; at 55 ℃; for 3h; pH=4; Enzyme kinetics; Aqueous acetate buffer;

Reference yield:

genistein-7-O-β-D-(6''-O-acetylglucopyranoside) (73566-30-0) → genistin (529-59-9)

Guidance literature:

With sulfuric acid;

upstream raw materials:

6''-O-malonylgenistin

Downstream raw materials:

genistin

5,7-Dihydroxy-3-(4-hydroxy-phenyl)-chromen-4-on

Refernces