Chrysosplenol C

Base Information

• Chemical Name: Chrysosplenol C
• CAS No.: 23370-16-3
• Molecular Formula: C18H16 O8
• Molecular Weight: 360.32
• Hs Code.: 2914509090
• DSSTox Substance ID: DTXSID00177923
• Nikkaji Number: J19.793I
• Wikidata: Q27106166
• Metabolomics Workbench ID: 26065
• ChEMBL ID: CHEMBL483031
• Mol file: 23370-16-3.mol

Synonyms:chrysosplenol C

Chemical Property of Chrysosplenol C

Chemical Property:

• Vapor Pressure: 2.17E-17mmHg at 25°C
• Boiling Point: 648°Cat760mmHg
• Flash Point: 238.4°C
• PSA: 118.59000
• Density: 1.54g/cm³
• LogP: 2.60260
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 4
• Exact Mass: 360.08451746
• Heavy Atom Count: 26
• Complexity: 561

Purity/Quality:

98% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=C(C=CC(=C1)C2=C(C(=O)C3=C(C(=C(C=C3O2)OC)O)O)OC)O

Technology Process of Chrysosplenol C

There total 2 articles about Chrysosplenol C 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:

quercetagetin (90-18-6) → 5,6-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3,7-dimethoxychromen-4-one (23370-16-3) + chrysoplenitin (603-56-5,69234-29-3)

Guidance literature:

With O-methyl transferase from cell-free extract of Citrus mitis; <(14)CH3>-S-adenosyl-L-methionine; 2-hydroxyethanethiol; In water; dimethyl sulfoxide; at 35 ℃; for 0.5h; Product distribution; pH 7.5 buffer;

DOI:10.1016/0031-9422(80)85102-8

Reference yield:

→ 5,6-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3,7-dimethoxychromen-4-one (23370-16-3)

Guidance literature:

Chrysosplenosid-C (A), wss. H2SO4, erhitzen;

Reference yield: 32.0%

5,6-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3,7-dimethoxychromen-4-one (23370-16-3) → artemetin (479-90-3)

Guidance literature:

With sodium hydride; methyl iodide; In N,N-dimethyl-formamide; at 20 ℃;

DOI:10.1021/acsmedchemlett.5b00043

upstream raw materials:

quercetagetin

Downstream raw materials:

artemetin