Thermopsoside

Base Information

• Chemical Name: Thermopsoside
• CAS No.: 19993-32-9
• Molecular Formula: C₂₂H₂₂O₁₁
• Molecular Weight: 462.41
• ChEMBL ID: CHEMBL486391
• DSSTox Substance ID: DTXSID20941966
• Nikkaji Number: J410.291F
• Wikidata: Q63393042
• Mol file: 19993-32-9.mol

Synonyms:THERMOPSOSIDE;19993-32-9;Chrysoeriol 7-O-glucoside;Chrysoeriol-7-O-glucoside;5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one;Termopsoside;Chrysoeriol 7-glucoside;Chrysoeriol 7-beta-glucoside;Chrysoeriol-7-O-beta-D-glucopyranoside;7-Glu Chrysoeriol;Chrysoeriol7-O-glucoside;CHEMBL486391;DTXSID20941966;HY-N6023;MFCD11975476;AKOS040757687;FS-8071;4H-1-Benzopyran-4-one, 7-(beta-D-glucopyranosyloxy)-5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-;CS-0032190;Chrysoeriol-7-O-beta-D-glucopyranosideThermopsoside;Q63393042;Chrysoeriol-7-O-|A-D-glucopyranoside pound>>Thermopsoside;5-Hydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxo-4H-1-benzopyran-7-yl hexopyranoside

Chemical Property of Thermopsoside

Chemical Property:

• Melting Point: 176-179℃
• Boiling Point: 801.6±65.0 °C(Predicted)
• PKA: 6.10±0.40(Predicted)
• PSA: 179.28000
• Density: 1.609
• LogP: 0.05850
• XLogP3: 0.8
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 11
• Rotatable Bond Count: 5
• Exact Mass: 462.11621151
• Heavy Atom Count: 33
• Complexity: 729

Purity/Quality:

99% ^*data from raw suppliers

Chrysoeriol-7-O-beta-D-glucopyranoside ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=C(C=CC(=C1)C2=CC(=O)C3=C(C=C(C=C3O2)OC4C(C(C(C(O4)CO)O)O)O)O)O
• Isomeric SMILES: COC1=C(C=CC(=C1)C2=CC(=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

Technology Process of Thermopsoside

There total 3 articles about Thermopsoside 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:

crotonoylthermopsoside (123656-61-1) → (E)-but-2-enoic acid (107-93-7) + chrysoeriol 7-O-glucoside (19993-32-9,28543-47-7)

Guidance literature:

With potassium hydroxide; for 1h; Ambient temperature;

DOI:10.1007/BF00597707

Reference yield:

chrysoeriol-7-O-β-D-(3''-E-p-coumaroyl)-glucopyranoside → p-hydroxycinnamic acid sodium salt (693218-34-7) + chrysoeriol 7-O-glucoside (19993-32-9,28543-47-7)

Guidance literature:

With sodium hydroxide; In water; for 48h; Ambient temperature;

DOI:10.1016/S0031-9422(00)81598-8

Reference yield:

→ chrysoeriol 7-O-glucoside (19993-32-9,28543-47-7)

Guidance literature:

With sulfuric acid;

upstream raw materials:

crotonoylthermopsoside

Downstream raw materials:

β-D-glucose

D-glucose

chrysoeriol

Refernces

• 1、 Yuldashev, M. P.,Batirov, E. Kh.,Vdovin, A. D.,Malikov, V. M.,Yagudaev, M. R.. "FLAVONOIDS OF Thermopsis alterniflora. CROTONOYLTHERMOPSOSIDE AND CROTONOYLCOSMOSIIN - NEW ACYLATED FLAVONE GLYCOSIDES". . p. 303 - 308. Retrieved 2007/10/02.