Unii-J2SJ3W6H9R

Base Information

• Chemical Name: Unii-J2SJ3W6H9R
• CAS No.: 573-44-4
• Deprecated CAS: 6216-79-1,103938-15-4,11041-76-2
• Molecular Formula: C46H66O30
• Molecular Weight: 742.728
• Mol file: 573-44-4.mol

Synonyms:UNII-J2SJ3W6H9R;J2SJ3W6H9R;beta-D-Glucopyranoside, (tetrahydro-1H,3H-furo(3,4-c)furan-1,4-diyl)bis(2,6-dimethoxy-4,1-phenylenebis-, (1S-(1alpha,3aalpha,4alpha,6aalpha))-;AKOS032948399

Chemical Property of Unii-J2SJ3W6H9R

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Melting Point: 263-265 °C
• Boiling Point: 1261.2°Cat760mmHg
• PKA: 12.45±0.70(Predicted)
• Flash Point: 716.6°C
• PSA: 254.14000
• Density: 1.621g/cm³
• LogP: -1.84640
• Storage Temp.: ?20°C
• XLogP3: -5.7
• Hydrogen Bond Donor Count: 16
• Hydrogen Bond Acceptor Count: 30
• Rotatable Bond Count: 18
• Exact Mass: 1098.36389068
• Heavy Atom Count: 76
• Complexity: 1670

Purity/Quality:

99%, ^*data from raw suppliers

Liriodendrin ≥85% (LC/MS-ELSD) ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=C(C(=C(C(=C1)OC2C(C(C(C(O2)CO)O)O)O)C3C4COC(C4CO3)C5=C(C(=C(C=C5OC6C(C(C(C(O6)CO)O)O)O)OC)OC7C(C(C(C(O7)CO)O)O)O)OC)OC)OC8C(C(C(C(O8)CO)O)O)O
• Isomeric SMILES: COC1=C(C(=C(C(=C1)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)C3C4COC(C4CO3)C5=C(C(=C(C=C5O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)OC)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)OC)OC)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O
• Uses: Liriodendrin is a Western medicine compound, used in preparation for preventing cardiovascular and cerebrovascular diseases.

Technology Process of Unii-J2SJ3W6H9R

There total 3 articles about Unii-J2SJ3W6H9R 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:

C50H62O26 (6746-69-6,66007-45-2,66791-78-4,104758-17-0) → (+/-)-Singaresinol-4',4'-O-bis-β-D-glucoside (573-44-4,6216-79-1,39432-56-9,66791-77-3,79484-75-6,96038-87-8,100569-79-7)

Guidance literature:

With sodium methylate; In methanol; Yield given; pH 10;

DOI:10.1016/S0031-9422(00)98258-X

Reference yield:

trans-sinapyl alcohol (20675-96-1) → (+/-)-Singaresinol-4',4'-O-bis-β-D-glucoside (573-44-4,6216-79-1,39432-56-9,66791-77-3,79484-75-6,96038-87-8,100569-79-7)

Guidance literature:

Multi-step reaction with 3 steps

1: 67 percent / CuSO₄, air / H₂O / 48 h / 25 °C / Irradiation

2: 2.5 percent KOH / acetone / 48 h

3: 1 M NaOMe / methanol / pH 10

With potassium hydroxide; air; sodium methylate; copper(II) sulfate; In methanol; water; acetone;

DOI:10.1016/S0031-9422(00)98258-X

Reference yield:

(+/-)-syringaresinol (487-35-4,551-29-1,1177-14-6,6216-81-5,6216-82-6,19046-36-7,21453-69-0,21453-71-4,51152-20-6,51197-10-5,72258-43-6) → (+/-)-Singaresinol-4',4'-O-bis-β-D-glucoside (573-44-4,6216-79-1,39432-56-9,66791-77-3,79484-75-6,96038-87-8,100569-79-7)

Guidance literature:

Multi-step reaction with 2 steps

1: 2.5 percent KOH / acetone / 48 h

2: 1 M NaOMe / methanol / pH 10

With potassium hydroxide; sodium methylate; In methanol; acetone;

DOI:10.1016/S0031-9422(00)98258-X

upstream raw materials:

C₅₀H₆₂O₂₆

trans-sinapyl alcohol

(+/-)-syringaresinol

Downstream raw materials:

D-Glucose

(8R,7′S,8′R)-5,5′-dimethoxylariciresinol

(+)-syringaresinol

liriodendrin octaacetate

Refernces