BR-xanthone A

Base Information

• Chemical Name: BR-xanthone A
• CAS No.: 112649-48-6
• Molecular Formula: C₂₃H₂₄O₆
• Molecular Weight: 396.44
• ChEMBL ID: CHEMBL517938
• DSSTox Substance ID: DTXSID001317575
• Metabolomics Workbench ID: 45989
• Nikkaji Number: J866.786A
• Wikidata: Q104399146
• Mol file: 112649-48-6.mol

Synonyms:BR-xanthone A;112649-48-6;10,22-dihydroxy-7,7,18,18-tetramethyl-8,13,17-trioxapentacyclo[12.8.0.03,12.04,9.016,21]docosa-1(22),3(12),4(9),10,14,16(21)-hexaen-2-one;2,3,11,12-Tetrahydro-5,13-dihydroxy-3,3,10,10-tetramethyl-10H-dipyrano[3,2-a:2',3'-i]xanthen-14(1H)-one;BR-xanthoneA;CHEMBL517938;SCHEMBL15006535;DTXSID001317575;AKOS032961757;FS-10152;F92855;10,22-dihydroxy-7,7,18,18-tetramethyl-8,13,17-trioxapentacyclo[12.8.0.0^{3,12.0^{4,9.0^{16,21]docosa-1(22),3(12),4(9),10,14,16(21)-hexaen-2-one;10,22-dihydroxy-7,7,18,18-tetramethyl-8,13,17-trioxapentacyclo[12.8.0.0^{3,12}.0^{4,9}.0^{16,21}]docosa-1(22),3,9,11,14,16(21)-hexaen-2-one

Chemical Property of BR-xanthone A

Chemical Property:

• Melting Point: 180-182 °C
• Boiling Point: 609.7±55.0 °C(Predicted)
• PKA: 7.05±0.60(Predicted)
• PSA: 89.13000
• Density: 1.308±0.06 g/cm3(Predicted)
• LogP: 4.56460
• XLogP3: 4.8
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 0
• Exact Mass: 396.15728848
• Heavy Atom Count: 29
• Complexity: 674

Purity/Quality:

99%+, ^*data from raw suppliers

BR-XanthoneA 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1(CCC2=C(O1)C=C3C(=C2O)C(=O)C4=C(O3)C=C(C5=C4CCC(O5)(C)C)O)C

Technology Process of BR-xanthone A

There total 4 articles about BR-xanthone 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: 89.0%

mangostenone D → BR-xanthone A (112649-48-6)

Guidance literature:

With polyphosphoric acid; air; In N,N-dimethyl-formamide; at 130 ℃; for 2h;

DOI:10.1080/00397911.2021.1902537

Reference yield:

→ BR-xanthone A (112649-48-6)

Guidance literature:

With hydrogen iodide;

DOI:10.1021/ja01540a046

Reference yield:

γ-mangostin (31271-07-5) → BR-xanthone A (112649-48-6)

Guidance literature:

With hydrogenchloride; methanol; for 24h; Ambient temperature;

upstream raw materials:

γ-mangostin

1,6-dihydroxy-6',6'-dimethylpyrano(2',3':2,3)-6,6-dimethylpyrano(2,3:7,8)xanthone

Refernces

• 1、 Dutta, P. K.,Sen, A. K.,Sarkar, K. K.,Banerji, N.. "Acid-catalysed Cyclisations of Xanthones: Structure of a New Xanthone from Garcinia mangostana Linn.". . p. 281 - 282. Retrieved 2007/10/02.