Products 5058-13-9

CAS 5058-13-9 appears in our catalog under these names: Columbianadin, 95%, Columbianadin, Columbianadin/ 98.44% (existing batch purity), Columbianadin, >98.0%(HPLC), Columbianadin, 98%, 98%. Offered by: Combi-blocks, GLPBio, TargetMol, Biosynth, TCI. Available pack sizes: 100mg, 20mg, 10mg, 25mg, 50mg, 250mg, Get quote, 5 mg.

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

Columbianadin is an alpha,beta-unsaturated carboxylic ester obtained by formal condensation of the carboxy group of angelic acid with the hydroxy group of 2-[(8S)-2-oxo-8,9-dihydro-2H-furo[2,3-h][1]benzopyran-8-yl]propan-2-ol. It has a role as an antineoplastic agent, a hepatoprotective agent, an anti-inflammatory agent, an apoptosis inducer, a plant metabolite and a rat metabolite. It is a furanocoumarin and an alpha,beta-unsaturated carboxylic ester. It is functionally related to an angelic acid.

Source: ChEBI

Identity
Molecular formulaC19H20O5
Molecular weight328.4 g/mol
IUPAC name2-[(8S)-2-oxo-8,9-dihydrofuro[2,3-h]chromen-8-yl]propan-2-yl (Z)-2-methylbut-2-enoate
InChIKeyJRIBPWOXWIRQOQ-GHAIFCDISA-N
SMILESC/C=C(/C)\C(=O)OC(C)(C)[C@@H]1CC2=C(O1)C=CC3=C2OC(=O)C=C3

Computed by PubChem (NCBI)