quadrangularin A

Base Information

Chemical Name:quadrangularin A
CAS No.:252557-25-8
Molecular Formula:C₂₈H₂₂O₆
Molecular Weight:454.479
Hs Code.:
DSSTox Substance ID:DTXSID301030542
Wikipedia:Quadrangularin_A,Cyphostemmin_B
Wikidata:Q7268318
Metabolomics Workbench ID:128281
ChEMBL ID:CHEMBL2335820

Synonyms:quadrangularin A

Suppliers and Price of quadrangularin A

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
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Total 0 raw suppliers

Chemical Property of quadrangularin A

Chemical Property:

Vapor Pressure:1.24E-21mmHg at 25°C
XLogP3:4.9
Hydrogen Bond Donor Count:6
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:3
Exact Mass:454.14163842
Heavy Atom Count:34
Complexity:700

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:C1=CC(=CC=C1C=C2C(C(C3=C2C=C(C=C3O)O)C4=CC=C(C=C4)O)C5=CC(=CC(=C5)O)O)O
Isomeric SMILES:C1=CC(=CC=C1/C=C/2\[C@H]([C@@H](C3=C2C=C(C=C3O)O)C4=CC=C(C=C4)O)C5=CC(=CC(=C5)O)O)O

Technology Process of quadrangularin A

There total 1 articles about quadrangularin A 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: 31.0%

: 212513-35-4
(-)-parthenocissin A

: 1034147-18-6
laetevirenol A

: 252557-25-8
(-)-quadrangularin A

Guidance literature:: In methanol; at 20 ℃; for 2h; UV-irradiation;
DOI:10.1021/jo8001112

Reference yield: 14.0%

: 501-36-0
(E)-5-[2-4-(hydroxyphenyl)ethenyl]-1,3-benzenediol

: 252557-25-8
(-)-quadrangularin A

: 1034147-20-0
laetevirenol C

: 1034147-21-1
laetevirenol D

Guidance literature:: (E)-5-[2-4-(hydroxyphenyl)ethenyl]-1,3-benzenediol; (-)-quadrangularin A; With horseradish peroxidase; In water; acetone; at 25 ℃; for 0.0833333h;

With dihydrogen peroxide; In water; acetone; at 25 ℃; for 0.5h; Further stages.;
DOI:10.1021/jo8001112