Products 18449-41-7

CAS 18449-41-7 appears in our catalog under these names: Madecassic Acid, Madecassic Acid (97%), Madecassic acid, Madecassic acid/ 99.55% (existing batch purity), Madecassic acid, 98%. Offered by: Chemat Brand, TRC, GLPBio, TargetMol, Biosynth. Available pack sizes: on request, 100mg, 1g, 250mg, 10mg, 20mg, 5mg, 25mg.

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

Madecassic acid is a pentacyclic triterpenoid that is ursane substituted by a carboxy group at position 28 and hydroxy groups at positions 2, 3, 6 and 23 (the 2alpha,3beta,6beta stereoisomer). It has a role as an antioxidant, an antibacterial agent, a hypoglycemic agent, an antineoplastic agent, an apoptosis inducer and a plant metabolite. It is a monocarboxylic acid, a pentacyclic triterpenoid and a tetrol. It is a conjugate acid of a madecassate. It derives from a hydride of an ursane.

Source: ChEBI

Identity
Molecular formulaC30H48O6
Molecular weight504.7 g/mol
IUPAC name(1S,2R,4aS,6aR,6aS,6bR,8R,8aR,9R,10R,11R,12aR,14bS)-8,10,11-trihydroxy-9-(hydroxymethyl)-1,2,6a,6b,9,12a-hexamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylic acid
InChIKeyPRAUVHZJPXOEIF-AOLYGAPISA-N
SMILESC[C@@H]1CC[C@@]2(CC[C@@]3(C(=CC[C@H]4[C@]3(C[C@H]([C@@H]5[C@@]4(C[C@H]([C@@H]([C@@]5(C)CO)O)O)C)O)C)[C@@H]2[C@H]1C)C)C(=O)O

Computed by PubChem (NCBI)