CID 11190157

Base Information

• Chemical Name: CID 11190157
• CAS No.: 11075-15-3
• Molecular Formula: C₂₂H₂₆O₁₀
• Molecular Weight: 450.442
• UNII: Y7RG6SKW9Z
• Nikkaji Number: J1.450.106A
• Wikidata: Q105213157
• ChEMBL ID: CHEMBL490513
• Mol file: 11075-15-3.mol

Synonyms:asebotin

Chemical Property of CID 11190157

Chemical Property:

• Vapor Pressure: 1.49E-25mmHg at 25°C
• Boiling Point: 779.1°C at 760 mmHg
• Flash Point: 271°C
• PSA: 166.14000
• Density: 1.471g/cm³
• LogP: 0.10060
• XLogP3: 0.9
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 8
• Exact Mass: 450.15259702
• Heavy Atom Count: 32
• Complexity: 595

Purity/Quality:

98%,99%, ^*data from raw suppliers

Asebotin 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC(=C(C(=C1)OC2C(C(C(C(O2)CO)O)O)O)C(=O)CCC3=CC=C(C=C3)O)O
• Isomeric SMILES: COC1=CC(=C(C(=C1)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)C(=O)CCC3=CC=C(C=C3)O)O

Technology Process of CID 11190157

There total 2 articles about CID 11190157 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:

phloridizin (60-81-1,6426-09-1,40816-73-7,130549-93-8,138665-98-2) + diazomethyl-trimethyl-silane (18107-18-1) → 2',4,6'-trihydroxy-4'-methoxydihydrochalcone 2'-O-β-D-glucopyranoside (11075-15-3)

Guidance literature:

With diisopropylamine; In 1,4-dioxane; methanol; at 20 ℃; for 1h;

DOI:10.1021/jf0341060

Reference yield:

4-hydroxy-benzaldehyde (123-08-0,65581-83-1) → 2',4,6'-trihydroxy-4'-methoxydihydrochalcone 2'-O-β-D-glucopyranoside (11075-15-3)

Guidance literature:

With potassium hydroxide; anschl.Hydrierung an Palladium/Kohle in Aethanol;

Reference yield:

2',4,6'-trihydroxy-4'-methoxydihydrochalcone 2'-O-β-D-glucopyranoside (11075-15-3) → asebogenin (520-42-3)

Guidance literature:

With hydrogenchloride; at 100 ℃; for 0.5h;

DOI:10.1021/jf0341060

upstream raw materials:

4-hydroxy-benzaldehyde

phloridizin

diazomethyl-trimethyl-silane

Downstream raw materials:

asebogenin

Refernces