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Beta-mangostin

CAS No.:
20931-37-7
Catalog Number:
AG00BE5W
Molecular Formula:
C25H28O6
Molecular Weight:
424.4862
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1mg
≥95%
1 week
United States
$333
- +
5mg
99%
1 week
United States
$407
- +
Product Description
Catalog Number:
AG00BE5W
Chemical Name:
Beta-mangostin
CAS Number:
20931-37-7
Molecular Formula:
C25H28O6
Molecular Weight:
424.4862
MDL Number:
MFCD00951751
IUPAC Name:
1,6-dihydroxy-3,7-dimethoxy-2,8-bis(3-methylbut-2-enyl)xanthen-9-one
InChI:
InChI=1S/C25H28O6/c1-13(2)7-9-15-18(29-5)12-20-22(23(15)27)24(28)21-16(10-8-14(3)4)25(30-6)17(26)11-19(21)31-20/h7-8,11-12,26-27H,9-10H2,1-6H3
InChI Key:
YRKKJHJIWCRNCW-UHFFFAOYSA-N
SMILES:
COc1c(O)cc2c(c1CC=C(C)C)c(=O)c1c(o2)cc(c(c1O)CC=C(C)C)OC
Properties
Complexity:
692  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
424.189g/mol
Formal Charge:
0
Heavy Atom Count:
31  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
424.493g/mol
Monoisotopic Mass:
424.189g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
85.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.6  
Literature
Title Journal
Fatty acid synthase inhibitors of phenolic constituents isolated from Garcinia mangostana. Bioorganic & medicinal chemistry letters 20101015
Cytotoxic xanthone constituents of the stem bark of Garcinia mangostana (mangosteen). Journal of natural products 20091101
Inhibitory effect of xanthones isolated from the pericarp of Garcinia mangostana L. on rat basophilic leukemia RBL-2H3 cell degranulation. Bioorganic & medicinal chemistry 20080415
Induction of apoptosis by xanthones from mangosteen in human leukemia cell lines. Journal of natural products 20030801
Antimycobacterial activity of prenylated xanthones from the fruits of Garcinia mangostana. Chemical & pharmaceutical bulletin 20030701
Chemical constituents of Garcinia fusca: structure elucidation of eight new xanthones and their cancer chemopreventive activity. Journal of natural products 20030201
Properties