Products 531-75-9

CAS 531-75-9 appears in our catalog under these names: Esculin, Esculin, >95% (HPLC), Esculin/ 99.67% (existing batch purity), Esculin hydrate, Esculin hydrate, 97%. Offered by: Chemat Brand, TRC, GLPBio, TargetMol, Biosynth. Available pack sizes: on request, 10g, 25g, 5g, 20mg, 500mg, 10mM (in 1ml dmso), 0,1kg.

Structural formula: {0} (CAS {1})

Esculin is a hydroxycoumarin that is the 6-O-beta-D-glucoside of esculetin. It has a role as an antioxidant and a metabolite. It is a beta-D-glucoside and a hydroxycoumarin. It is functionally related to an esculetin.

Source: ChEBI

Identity
Molecular formulaC15H16O9
Molecular weight340.28 g/mol
IUPAC name7-hydroxy-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one
InChIKeyXHCADAYNFIFUHF-TVKJYDDYSA-N
SMILESC1=CC(=O)OC2=CC(=C(C=C21)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O

Computed by PubChem (NCBI)